SCHEMBL2497040

SCHEMBL2497040

Nc1cc(F)ccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
CYP2D6 P10635 1/20 0.42
MAOA P21397 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
SCN4A P35499 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE3A Q14432 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
P2RX7 Q99572 3/20 0.42
NUDT1 P36639 7/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2498706 0.86 ALDH1A1 (0.41) HSD11B1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL2500855 0.81 TSHR (0.48) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL29462674 0.78 ALDH1A1 (0.55) KDM4EALDH1A1TAAR1
SCHEMBL3787706 0.77 ALDH1A1 (0.59) HSD11B1KDM4EALDH1A1TAAR1
SCHEMBL397466 0.77 ALDH1A1 (0.59) CYP2D6MAOAMAPK1ADRA1ASCN4A
Hydrochloric Acid SCHEMBL28115566 0.75 ALDH1A1 (0.56) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL2497898 0.74 ALDH1A1 (0.43) KDM4EALDH1A1TAAR1
SCHEMBL15330139 0.73 NUDT1 (0.45) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL440943 0.73 TSHR (0.52) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL2494368 0.72 TDP1 (0.45) HSD11B1MAPK1P2RX7POLBALDH1A1

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 HSD11B1 1000/4885CYP2D6 169/4885MAOA 1457/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 HSD11B1 434/4885CYP2D6 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.