SCHEMBL3786871

SCHEMBL3786871

Nc1cc(Cl)cc(Sc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
PDE7A Q13946 3/20 0.37
ADORA2A P29274 1/20 0.37
PDE7B Q9NP56 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ANXA2 P07355 1/20 0.36
S100A10 P60903 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
SCHEMBL16864347 0.88 CYP3A4 (0.56) CYP3A4TP53ALDH1A1TSHRMAPK1
SCHEMBL7182051 0.87 CYP3A4 (0.60) CYP3A4TP53ALDH1A1TSHRMAPK1
SCHEMBL7565404 0.86 ALDH1A1 (0.54) CYP3A4TP53ALDH1A1MAPTKDM4E
SCHEMBL7190479 0.86 CYP3A4 (0.58) CYP3A4TP53ALDH1A1TSHRMAPK1
SCHEMBL28423177 0.85 CHRNA7 (0.46) TP53CHRNA7ALDH1A1TSHRMAPT
SCHEMBL10362293 0.85 TSHR (0.48) CYP3A4CHRNA7ALDH1A1TSHRMAPK1
SCHEMBL3785704 0.85 CHRNA7 (0.46) TP53CHRNA7ALDH1A1TSHRMAPT
SCHEMBL29215117 0.76 CHRNA7 (0.40) TP53CHRNA7ALDH1A1MAPTHPGD
SCHEMBL3789926 0.76 MAOA (0.48) CYP3A4ALDH1A1TSHRMAPK1MAPT
SCHEMBL7185566 0.76 CYP3A4 (0.45) CYP3A4TP53ALDH1A1TSHRMAPK1

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 CYP3A4 177/4885TP53 2819/4885CHRNA7 3342/4885

“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.