SCHEMBL3786378

SCHEMBL3786378

Nc1cccc(-c2c(N)cccc2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.44
MAP4K4 O95819 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 4/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B2 P37059 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MEN1 O00255 1/20 0.37
PSIP1 O75475 1/20 0.37

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
SCHEMBL3787221 0.84 MAOA (0.45) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3787362 0.83 PDCD1 (0.48) ALDH1A1KDM4EMAPTMAOASMN1; SMN2
SCHEMBL3785710 0.81 CYP3A4 (0.37) ALDH1A1KDM4EMAPTCYP3A4CYP2C9
SCHEMBL6938421 0.80 CYP3A4 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL10712088 0.80 CYP2C9 (0.43) MAOASMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL18605215 0.79 CTSA (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL17064391 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3787209 0.76 MAOA (0.50) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3789745 0.76 MAOA (0.50) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3787028 0.76 MAOA (0.50) ALDH1A1KDM4EMAPTMAOAMAP4K4

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 ALDH1A1 4339/4885KDM4E 2606/4885MAPT 3312/4885

“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.