SCHEMBL2940751

SCHEMBL2940751

Nc1cc(Cl)c(F)cc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.45
DHFR P00374 1/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOB P27338 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PGR P06401 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37
IKBKE Q14164 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
SCHEMBL16119858 0.84 ALDH1A1 (0.43) ADORA2AADORA1ALDH1A1PTGS1PTGS2
SCHEMBL14290476 0.77 TDO2 (0.46) TDO2DHFRADORA2AADORA1NPC1
SCHEMBL2317547 0.77 ALDH1A1 (0.43) ADORA2AADORA1ALDH1A1PTGS1PTGS2
SCHEMBL21770966 0.75 ALDH1A1 (0.52) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL25593133 0.73 TDO2 (0.43) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL6011269 0.73 ALDH1A1 (0.54) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL6571989 0.73 ALDH1A1 (0.54) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL3835519 0.72 PTPRC (0.47) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL29575632 0.72 ALDH1A1 (0.58) TDO2DHFRADORA2AADORA1MAOB
SCHEMBL398850 0.72 ALDH1A1 (0.58) TDO2DHFRADORA2AADORA1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750186-B2 Methods for the manufacture of biphenyl amines BAYER CROPSCIENCE AG (DE) 2010-07-06 US disclosed
US-20080194835-A1 Methods for the Manufacture of Biphenyl Amines BAYER GROPSCIENCE AG (DE) 2008-08-14 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 (1 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-20080194835-A1 Methods for the Manufacture of Biphenyl Amines DDT, AADAC, CYP1B1 TDO2 189/4885DHFR 183/4885ADORA2A 1110/4885

“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.