SCHEMBL5783182

SCHEMBL5783182

Cc1c(N)ccc(C(N)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
IKBKB O14920 1/20 0.41
NNMT P40261 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SIRT3 Q9NTG7 1/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
BRD4 O60885 2/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL1018603 0.88 NNMT (0.47) PARP1NNMTTDP1SIRT3KMT2A
SCHEMBL29889389 0.88 NNMT (0.47) PARP1NNMTTDP1SIRT3KMT2A
SCHEMBL10661542 0.84 PARP1 (0.41) PARP1IKBKBNNMTTDP1SIRT3
SCHEMBL6232283 0.84 CYP3A4 (0.40) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL93998 0.82 KDM4E (0.50) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL30340194 0.82 KDM4E (0.50) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL4807602 0.82 CYP3A4 (0.39) IKBKBTDP1KMT2AALDH1A1MAPT
SCHEMBL28215256 0.81 PARP1 (0.42) PARP1IKBKBNNMTTDP1SIRT3
SCHEMBL529786 0.80 TSHR (0.54) PARP1ALDH1A1MAPTTSHRBRD4
SCHEMBL28695987 0.80 CYP3A4 (0.37) TDP1KMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084096-A 2- phenyl pyrimidine classes compound, preparation method and medical usage 中国药科大学 2018-05-29 CN disclosed
CN-104744636-B Isoprene-vinyl aromatic hydrocarbon copolymer and method for producing same 奇美实业股份有限公司 2017-09-15 CN disclosed
CN-104744636-A Isoprene-vinyl aromatic hydrocarbon copolymer and method for producing same CHIMEI CORP 2015-07-01 CN disclosed
CN-102558442-B Modified conjugated diene-vinyl aromatic hydrocarbon copolymer and method for producing same CHI MEI CORP 2015-03-18 CN disclosed
CN-103328561-B Electrically conductive rubber elastomer, charging member, and electrophotographic apparatus CANON KK 2014-12-10 CN disclosed
CN-104024228-A Imidazolidinedione compounds and their uses HINOVA PHARMACEUTICALS INC 2014-09-03 CN disclosed
CN-103328561-A Electrically conductive rubber elastomer, charging member, and electrophotographic apparatus CANON KK 2013-09-25 CN disclosed
CN-103159680-A Imidazole diketone compound and application thereof AMYNIDY PHARMACEUTICAL CO LTD 2013-06-19 CN disclosed
CN-102558442-A Modified conjugated diene-vinyl aromatic hydrocarbon copolymer and method for producing same CHI MEI CORP 2012-07-11 CN disclosed
EP-1212318-B1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 EP disclosed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
CN-1083863-C Water-unsolutable azo-pigment based on N-acetoacetyl dehydrogenated thio toluidine CLARIANT GMBH (DE) 2002-05-01 CN disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed
CN-1169446-A Water-unsolutable azo-pigment based on N-acetoacetyl dehydrogenated thio toluidine HOECHST AG (DE) 1998-01-07 CN 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 (1 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI PARP1 1403/4885IKBKB 770/4885NNMT 2148/4885

“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.