SCHEMBL2495859

SCHEMBL2495859

Nc1c(Cl)cccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 7/20 0.49
CYP2D6 P10635 2/20 0.47
MAOA P21397 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SCN4A P35499 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PDE3A Q14432 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
PNMT P11086 2/20 0.43
NOTUM Q6P988 2/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL30839807 0.90 TSHR (0.46) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL16347053 0.90 TSHR (0.46) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL11497642 0.86 NUDT1 (0.46) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL440943 0.84 TSHR (0.52) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL2495961 0.83 NUDT1 (0.44) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL20345882 0.79 ALDH1A1 (0.59) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL397466 0.79 ALDH1A1 (0.59) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL381601 0.77 CYP2A6 (0.52) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL29385608 0.77 CYP2A6 (0.52) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL30462475 0.77 TSHR (0.61) NUDT1MAPK1NOTUMTSHRCYP3A4

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 NUDT1 245/4885CYP2D6 169/4885MAOA 1457/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 NUDT1 349/4885CYP2D6 460/4885MAOA 977/4885

“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.