SCHEMBL7835908

SCHEMBL7835908

CC(=O)/C(=C/N(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1C1 Q04828 3/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C3 P42330 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL22440125 1.00 RECQL (0.48) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL7835911 1.00 RECQL (0.48) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL25274689 0.86 AKR1C1 (0.53) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL11391873 0.86 AKR1C1 (0.53) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL25230247 0.86 AKR1C1 (0.53) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL5216998 0.84 CES2 (0.50) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL5216994 0.84 CES2 (0.50) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL19795923 0.83 ALDH1A1 (0.45) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL25229606 0.82 RECQL (0.47) RECQLCES2CES1AKR1C1ALDH1A1
SCHEMBL19795917 0.82 CES2 (0.42) RECQLCES2CES1AKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 US disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 WO disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 WO disclosed
EP-0557860-B1 Substituted pyridiylpyrimidines and their use as parasiticide BAYER AG (DE) 2001-01-10 EP disclosed
US-5385905-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
EP-0557860-A1 Substituted pyridiylpyrimidines and their use as parasiticide BAYER AG (DE) 1993-09-01 EP disclosed
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
WO-1981002575-A1 DERIVATIVES OF 2(1H)-PYRIDINONE,THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SANDOZ AG (CH) 1981-09-17 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 (2 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-10173996-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A RECQL 2385/4885CES2 2013/4885CES1 716/4885
US-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 RECQL 765/4885CES2 1123/4885CES1 2485/4885

“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.