SCHEMBL420840

SCHEMBL420840

CC(C)(C)c1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HTT P42858 3/20 0.53
KMT2A Q03164 2/20 0.53
CASP1 P29466 2/20 0.53
MEN1 O00255 1/20 0.53
CASP7 P55210 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR4A2 P43354 1/20 0.53
TRPV1 Q8NER1 3/20 0.52
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
METAP2 P50579 1/20 0.44
CYP3A4 P08684 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CASP6 P55212 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL18463936 0.85 ALDH1A1 (0.55) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL28268758 0.85 ALDH1A1 (0.55) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL264293 0.85 ALDH1A1 (0.58) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL27771689 0.82 ALDH1A1 (0.51) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL14214637 0.82 ALDH1A1 (0.51) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL24703329 0.82 TRPV1 (0.67) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL28741994 0.81 ALDH1A1 (0.50) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL1750585 0.81 ALDH1A1 (0.53) ALDH1A1HTTKMT2ACASP1MEN1
SCHEMBL27991151 0.81 NR4A2 (0.58) ALDH1A1HTTKMT2ACASP1MEN1
Hydrochloric Acid SCHEMBL4614647 0.79 ALDH1A1 (0.52) ALDH1A1HTTKMT2ACASP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 (14 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885HTT 4419/4885KMT2A 1458/4885
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 ALDH1A1 414/4885HTT 2416/4885KMT2A 1743/4885
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 ALDH1A1 1942/4885HTT 1207/4885KMT2A 2511/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 ALDH1A1 1971/4885HTT 1411/4885KMT2A 1984/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 ALDH1A1 894/4885HTT 715/4885KMT2A 1132/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885HTT 184/4885KMT2A 1444/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ALDH1A1 2777/4885HTT 421/4885KMT2A 1107/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HTT 3156/4885KMT2A 2682/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 ALDH1A1 1028/4885HTT 2614/4885KMT2A 3488/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885HTT 4746/4885KMT2A 4486/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885HTT 4861/4885KMT2A 428/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 ALDH1A1 1758/4885HTT 1444/4885KMT2A 678/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG ALDH1A1 920/4885HTT 3746/4885KMT2A 3700/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 ALDH1A1 633/4885HTT 2813/4885KMT2A 2234/4885

“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.