SCHEMBL845125

SCHEMBL845125

CCc1cnccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 6/20 0.62
GAA P10253 3/20 0.62
GLA P06280 2/20 0.62
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM6B O15054 2/20 0.44
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.43
HTT P42858 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NCOA1 Q15788 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
SCHEMBL15832960 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL28613135 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL3961945 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL25827431 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL21786269 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL23639428 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL30465486 0.86 KDM4E (0.57) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL4074620 0.86 KDM4E (0.57) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL12447815 0.84 TSHR (0.52) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL19838578 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EGAAGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 US disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 US disclosed
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-03-17 US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
CN-109071497-B PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2021-10-22 CN disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
EP-3830079-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS The Trustees of Princeton University (US) 2021-06-09 EP disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 (8 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885KDM4E 3841/4885GAA 1107/4885
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885KDM4E 117/4885GAA 904/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885KDM4E 117/4885GAA 904/4885
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A ALDH1A1 2675/4885KDM4E 1294/4885GAA 1568/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885KDM4E 117/4885GAA 904/4885
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 ALDH1A1 2/4885KDM4E 2448/4885GAA 1693/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 ALDH1A1 3/4885KDM4E 2577/4885GAA 1875/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885KDM4E 117/4885GAA 904/4885

“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.