SCHEMBL1107280

SCHEMBL1107280

CC(C)(C)c1ccc2nonc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN10A Q9Y5Y9 4/20 0.40
KCNH2 Q12809 2/20 0.40
KCNJ1 P48048 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21511099 0.80 ENPP2 (0.42) ENPP2ALDH1A1ALOX15HSD17B10KCNH2
SCHEMBL22668555 0.80 ENPP2 (0.42) ENPP2ALDH1A1ALOX15HSD17B10KCNH2
SCHEMBL6197480 0.80 ENPP2 (0.50) ENPP2ALDH1A1ALOX15HSD17B10TDP1
SCHEMBL14666985 0.78 KDM4E (0.48) ENPP2TDP1KCNH2KCNJ1MAPT
SCHEMBL21555231 0.77 NPC1 (0.33) ENPP2ALDH1A1ALOX15HSD17B10SCN10A
SCHEMBL23118240 0.75 SCN10A (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL2707266 0.75 SCN10A (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL26223327 0.72 ENPP2 (0.39) ENPP2ALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL21577654 0.71 CNR2 (0.35) ENPP2ALDH1A1ALOX15HSD17B10KCNH2
SCHEMBL761268 0.71 ALDH1A1 (0.42) ALDH1A1ALOX15HSD17B10HPGDTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20220411440-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-29 US disclosed
US-20220143059-A1 COMPOSITIONS AND THERAPEUTIC METHODS AYUVIS RESEARCH, INC. 2022-05-12 US disclosed
US-11207343-B2 Compositions and therapeutic methods AYUVIS RESEARCH, INC. (US) 2021-12-28 US disclosed
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 US disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA ENPP2 1244/4885ALDH1A1 4725/4885ALOX15 2761/4885
US-11207343-B2 Compositions and therapeutic methods RB1, TNF, FLT1 ENPP2 232/4885ALDH1A1 2410/4885ALOX15 793/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ENPP2 63/4885ALDH1A1 4701/4885ALOX15 3974/4885
US-20220143059-A1 COMPOSITIONS AND THERAPEUTIC METHODS RB1, FLT1, FLT4 ENPP2 332/4885ALDH1A1 2737/4885ALOX15 935/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC ENPP2 692/4885ALDH1A1 176/4885ALOX15 896/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ENPP2 63/4885ALDH1A1 4701/4885ALOX15 3974/4885
US-20220411440-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 ENPP2 254/4885ALDH1A1 778/4885ALOX15 3571/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ENPP2 478/4885ALDH1A1 3939/4885ALOX15 2899/4885
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B ENPP2 1679/4885ALDH1A1 3625/4885ALOX15 3847/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ENPP2 478/4885ALDH1A1 3939/4885ALOX15 2899/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ENPP2 478/4885ALDH1A1 3939/4885ALOX15 2899/4885
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 ENPP2 15/4885ALDH1A1 3199/4885ALOX15 2197/4885
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 ENPP2 171/4885ALDH1A1 2135/4885ALOX15 1031/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 ENPP2 176/4885ALDH1A1 1567/4885ALOX15 1552/4885
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF CACNA1B, CACNG3, CACNA1C ENPP2 2937/4885ALDH1A1 3348/4885ALOX15 4039/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.