SCHEMBL3786513

SCHEMBL3786513

CCCc1cccc(N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 2/20 0.39
PNMT P11086 1/20 0.39
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
PIK3CA P42336 1/20 0.36
NR4A2 P43354 1/20 0.34
IDO1 P14902 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DAO P14920 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AOC3 Q16853 1/20 0.32
CD44 P16070 1/20 0.32

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
SCHEMBL3783958 0.88 TAAR1 (0.41) TAAR1ALDH1A1PNMTCYP1A2CYP2C9
SCHEMBL3789673 0.83 GABRA1 (0.44) TAAR1ALDH1A1PNMTTSHRCYP3A4
SCHEMBL9309227 0.81 ALDH1A1 (0.33) TAAR1ALDH1A1TSHRCYP3A4
SCHEMBL28171800 0.79 TAAR1 (0.44) TAAR1ALDH1A1PNMTTSHRCYP3A4
SCHEMBL8082929 0.78 TAAR1 (0.63) TAAR1ALDH1A1PNMTTSHRCYP3A4
SCHEMBL829785 0.78 CD44 (0.44) ALDH1A1TSHRCYP3A4PIK3CACYP1A2
SCHEMBL29484088 0.78 CD44 (0.44) ALDH1A1TSHRCYP3A4PIK3CACYP1A2
SCHEMBL5591177 0.78 PNMT (0.62) TAAR1ALDH1A1PNMTTSHRCYP3A4
SCHEMBL29443967 0.78 CYP3A4 (0.43) TAAR1ALDH1A1TSHRCYP3A4PIK3CA
SCHEMBL699759 0.78 PNMT (0.44) TAAR1ALDH1A1PNMTTSHRCYP3A4

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TAAR1 1746/4885ALDH1A1 4339/4885PNMT 709/4885

“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.