SCHEMBL3089372

SCHEMBL3089372

Cc1cc(C=O)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CCR1 P32246 1/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
PDE4A P27815 1/20 0.32
AGO2 Q9UKV8 1/20 0.32
MAPT P10636 1/20 0.32
GRM4 Q14833 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.30
AKR1C3 P42330 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL29952455 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDCCR1LMNA
SCHEMBL29956745 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDCCR1KMT2A
SCHEMBL29956524 0.77 ERN1 (0.35) ALDH1A1KDM4EHPGDCCR1LMNA
SCHEMBL13724354 0.77 GRM4 (0.53) POLBGAAMAPTGRM4NPC1
SCHEMBL21338123 0.77 CCR1 (0.32) CCR1LMNAPOLBAPOBEC3GGRM4
SCHEMBL11929836 0.77 KMT2A (0.45) ALDH1A1KDM4ECCR1LMNAPOLB
SCHEMBL27846488 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCCR1POLB
SCHEMBL13730783 0.77 KDM4E (0.34) ALDH1A1KDM4EHPGDCCR1
SCHEMBL29950842 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCCR1POLB
SCHEMBL29958148 0.77 ERN1 (0.35) ALDH1A1KDM4EHPGDCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
EP-1656366-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
EP-1448564-B1 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-04-19 EP disclosed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed
WO-2005019202-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2005-03-03 WO disclosed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (3 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-20050043301-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 ALDH1A1 2237/4885KDM4E 4282/4885HPGD 4328/4885
US-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B ALDH1A1 314/4885KDM4E 3964/4885HPGD 170/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A ALDH1A1 348/4885KDM4E 2763/4885HPGD 48/4885

“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.