SCHEMBL9968960

SCHEMBL9968960

Cc1ccc2c3c(cccc13)C(=O)N(C)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
USP2 O75604 4/20 0.67
KEAP1 Q14145 4/20 0.67
NFE2L2 Q16236 4/20 0.67
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
ATM Q13315 2/20 0.67
HPGD P15428 1/20 0.67
POLB P06746 4/20 0.63
PRMT1 Q99873 1/20 0.63
MAPT P10636 3/20 0.59
PABPC1 P11940 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TYMS P04818 1/20 0.47
CASP3 P42574 1/20 0.46
LMNA P02545 2/20 0.45
CYP1B1 Q16678 2/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL12856931 0.88 MEN1 (0.53) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL9968959 0.88 MEN1 (0.53) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL12869500 0.86 KMT2A (0.73) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL9290359 0.86 PKM (0.51) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL12561181 0.86 PKM (0.58) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL12111266 0.85 MEN1 (0.50) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL12111263 0.85 MEN1 (0.50) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL20735127 0.85 KMT2A (0.71) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL17231437 0.84 MAPT (0.65) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL20735125 0.81 KMT2A (0.67) KMT2AMEN1USP2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-9315671-B2 Bay-annulated indigo (BAI) as an excellent electron accepting building block for high performance organic semiconductors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-8293695-B2 Shading composition BASF SE (DE) 2012-10-23 US disclosed
US-8202994-B2 Pentarylene- and hexarylenetetracarboximides and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
US-8071761-B2 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 US disclosed
EP-1861886-B1 ORGANIC PHOTOACTIVE COMPONENT HELIATEK GMBH (DE) 2011-07-06 EP disclosed
US-20100299849-A1 SHADING PROCESS HOEHENER ALFRED 2010-12-02 US disclosed
US-7820780-B2 Polymers of napthalene tetracarboxylic diimide dimers XEROX CORPORATION (US) 2010-10-26 US disclosed
US-20100059716-A1 PENTARYLENE-AND HEXARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF BASF SE (DE) 2010-03-11 US disclosed
US-20090234092-A1 POLYMERS OF NAPTHALENE TETRACARBOXYLIC DIIMIDE DIMERS XEROX CORPORATION (US) 2009-09-17 US disclosed
US-20090217980-A1 Organic Photoactive Device HELIATEK GMBH (DE) 2009-09-03 US disclosed
US-7544450-B2 Polymers of napthalene tetracarboxylic diimide dimers XEROX CORPORATION (US) 2009-06-09 US disclosed
US-20090105108-A1 Shading Process CIBA CORPORATION 2009-04-23 US disclosed
US-7449268-B2 Polycarbonates, polyesters and polyimides from the dimers exhibit properties of both binders and an electron-transporting materials; electrographic and photoconductor elements XEROX CORPORATION (US) 2008-11-11 US disclosed
US-20080171275-A1 POLYMERS OF NAPTHALENE TETRACARBOXYLIC DIIMIDE DIMERS XEROX CORPORATION (US) 2008-07-17 US disclosed
US-20070184513-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-09 US disclosed
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-01-25 US disclosed
US-7157575-B2 Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-02 US 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 (5 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-20100059716-A1 PENTARYLENE-AND HEXARYLENETETRACARBOXIMIDES AND PREPARATION THEREOF CYP2C9, PNPO, CYP3A43 KMT2A 3106/4885MEN1 1512/4885USP2 340/4885
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 KMT2A 1869/4885MEN1 3348/4885USP2 4770/4885
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression CMBL, HRH3, TDO2 KMT2A 803/4885MEN1 4239/4885USP2 1296/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 KMT2A 2043/4885MEN1 4852/4885USP2 2709/4885
US-20070184513-A1 Substrates for beta-lactamase and uses thereof CMBL, DBH, NCEH1 KMT2A 1021/4885MEN1 3743/4885USP2 697/4885

“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.