SCHEMBL973185

SCHEMBL973185

Cn1cc(C(=O)Nc2ccccc2Br)c(C(F)F)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 4/20 0.49
USP2 O75604 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
IRAK4 Q9NWZ3 6/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL31475430 1.00 ATM (0.69) ATMKMT2AMEN1ALDH1A1USP2
SCHEMBL28999700 0.86 ATM (0.50) ATMIRAK4LMNA
SCHEMBL18117491 0.86 ATM (0.53) ATMKMT2AALDH1A1MAPTKDM4E
SCHEMBL971255 0.85 ATM (0.50) ATMKMT2AMEN1ALDH1A1RXFP1
SCHEMBL974151 0.85 CYP1A2 (0.51) ATMHPGDIRAK4
SCHEMBL28348101 0.85 ATM (0.49) ATMKMT2AMEN1IRAK4LMNA
SCHEMBL12393703 0.85 ATM (0.49) ATMIRAK4LMNA
SCHEMBL28345076 0.84 L3MBTL1 (0.51) ATMALDH1A1KDM4EIRAK4
SCHEMBL29199146 0.84 ATM (0.48) ATMALDH1A1RXFP1HPGDIRAK4
SCHEMBL1134831 0.84 ATM (0.49) ATMALDH1A1MAPTKDM4EIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473476-B1 Tetraarylborate method for producing substituted biphenyls BAYER IP GMBH (DE) 2015-01-14 EP disclosed
US-8436211-B2 Tetraarylborate process for the preparation of substituted biphenyls BAYER CROPSCIENCE AG (DE) 2013-05-07 US disclosed
EP-2257530-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-10-12 EP disclosed
US-20110105796-A1 Tetraarylborate Process for the Preparation of Substituted Biphenyls BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
US-20110003999-A1 Process for Preparing Substituted Biphenylanilides BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2257530-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES Bayer CropScience Aktiengesellschaft (DE) 2010-12-08 EP disclosed
WO-2009106234-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES BAYER CROPSCIENCE AG (DE) 2009-09-03 WO disclosed
EP-2093216-A1 Process for preparing substituted biphenylanilides Bayer CropScience AG (DE) 2009-08-26 EP disclosed
EP-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 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-20110105796-A1 Tetraarylborate Process for the Preparation of Substituted Biphenyls AHR, DDT, CYP4F3 ATM 3354/4885KMT2A 580/4885MEN1 2887/4885
US-20110003999-A1 Process for Preparing Substituted Biphenylanilides DDT, PAH, THOP1 ATM 3682/4885KMT2A 2634/4885MEN1 2811/4885

“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.