SCHEMBL69515

SCHEMBL69515

COC(=O)c1ccc(-c2nnc(C)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ATM Q13315 1/20 0.53
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPK14 Q16539 4/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL12918700 0.87 TDP1 (0.65) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4861254 0.86 MAPK14 (0.67) MAPK14
SCHEMBL4865916 0.86 MAPK14 (0.67) MAPK14
SCHEMBL9422430 0.84 CA1 (0.65) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5202186 0.84 NPC1 (0.68) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12920436 0.83 MAPT (0.53) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12920437 0.83 MAPT (0.53) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL13244602 0.83 MAPT (0.56) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL24340789 0.81 KDM4E (0.54) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL70030 0.81 NPC1 (0.69) RAB9ASMN1; SMN2NPC1HPGDNFKB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-11034718-B2 C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2021-06-15 US disclosed
US-11034718-B2 C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2021-06-15 US disclosed
US-20200087342-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2020-03-19 US disclosed
US-20200087342-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2020-03-19 US disclosed
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS DFH THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS DFH THERAPEUTICS, INC. 2018-08-02 US disclosed
EP-3256483-A2 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2017-12-20 EP disclosed
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-01-12 US disclosed
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-01-12 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (6 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-11034718-B2 C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors IL17A, CDK17, CCR3 MAPT 2158/4885RAB9A 1036/4885ALDH1A1 4020/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 MAPT 4192/4885RAB9A 4207/4885ALDH1A1 4063/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MAPT 3456/4885RAB9A 3858/4885ALDH1A1 784/4885
US-20200087342-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS IL17A, CDK17, CCR3 MAPT 2158/4885RAB9A 1036/4885ALDH1A1 4020/4885
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 MAPT 2274/4885RAB9A 594/4885ALDH1A1 3909/4885
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 MAPT 2213/4885RAB9A 542/4885ALDH1A1 3486/4885

“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.