SCHEMBL2499259

SCHEMBL2499259

Nc1cccc(F)c1-c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NR4A2 P43354 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
NUDT1 P36639 4/20 0.38

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
SCHEMBL31685920 0.87 TSHR (0.46) KMT2AKDM4ETSHRALDH1A1NR4A2
SCHEMBL22616566 0.87 TSHR (0.46) KMT2AKDM4ETSHRALDH1A1NR4A2
SCHEMBL2501381 0.84 KDM4E (0.47) KMT2AKDM4ECYP2D6MAOAMAPK1
SCHEMBL3794996 0.78 ALDH1A1 (0.52) KMT2AKDM4EMAOAALDH1A1MEN1
SCHEMBL2495961 0.77 NUDT1 (0.44) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL2466764 0.76 TAAR1 (0.42) KMT2ACYP2D6MAOAMAPK1ADRA1A
SCHEMBL397466 0.74 ALDH1A1 (0.59) KMT2AKDM4ECYP2D6MAOAMAPK1
SCHEMBL20522406 0.73 CYP1A2 (0.49) KMT2AKDM4ECYP2D6ALDH1A1MEN1
SCHEMBL2498443 0.73 S100A4 (0.50) KMT2AKDM4ECYP2D6MAPK1ALDH1A1
SCHEMBL4456270 0.73 TSHR (0.46) CYP2D6MAOAMAPK1ADRA1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 KMT2A 2875/4885KDM4E 4513/4885CYP2D6 169/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 KMT2A 2219/4885KDM4E 4227/4885CYP2D6 460/4885

“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.