SCHEMBL1245786

SCHEMBL1245786

COC(=O)c1ccc(NC(=O)CBr)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.77
KMT2A Q03164 7/20 0.77
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL25230453 0.86 MEN1 (0.72) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8661871 0.85 MEN1 (0.82) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6689489 0.85 TSHR (0.72) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8401925 0.84 KMT2A (0.79) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2351620 0.84 MEN1 (0.79) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL15267699 0.82 KMT2A (0.60) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5803980 0.82 MEN1 (0.77) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL21590314 0.82 MEN1 (0.83) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5803982 0.82 MEN1 (0.77) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5008292 0.82 MEN1 (0.77) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171035-B Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2021-03-30 CN disclosed
CN-111171035-A Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2020-05-19 CN disclosed
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-20050054582-A1 Para-amino benzoic acids as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2005-03-10 US disclosed
EP-1448180-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS Bayer HealthCare AG (DE) 2004-08-25 EP disclosed
US-20030232868-A1 Cyclic carboxylic acids as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
WO-2003030889-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-04-17 WO disclosed
WO-2003030889-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-04-17 WO disclosed
EP-1276714-A2 CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2003-01-22 EP disclosed
WO-2001081298-A2 CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-01 WO disclosed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 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-20050054582-A1 Para-amino benzoic acids as integrin antagonists ITGB7, ICAM1, ITGB1 MEN1 3861/4885KMT2A 4348/4885RAB9A 1498/4885
US-20030232868-A1 Cyclic carboxylic acids as integrin antagonists ITGA1, ITGB1, ITGA2B MEN1 4563/4885KMT2A 4302/4885RAB9A 1327/4885
US-20100184788-A1 HETEROCYCLIC DERIVATIVES TNNI3, TNNT2, CYP11B2 MEN1 4474/4885KMT2A 4568/4885RAB9A 1561/4885

“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.