SCHEMBL3781697

SCHEMBL3781697

Nc1cccc(-c2cc(O)ccc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAOA P21397 1/20 0.47
CHEK1 O14757 1/20 0.46
WEE1 P30291 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
MAP4K4 O95819 2/20 0.44
USP7 Q93009 1/20 0.43
CYP3A4 P08684 3/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3785174 0.85 CA12 (0.54) CA12ALDH1A1CA1CA2CA7
SCHEMBL6573001 0.85 CA12 (0.54) CA12ALDH1A1CA1CA2CA7
SCHEMBL2478623 0.84 MAOA (0.54) CA12ALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL6574107 0.83 CA12 (0.52) CA12ALDH1A1CA1CA2CA7
SCHEMBL3790622 0.82 ALOX5 (0.59) ALDH1A1USP7ALOX5PELI1
SCHEMBL31634621 0.82 ALOX5 (0.59) ALDH1A1USP7ALOX5PELI1
Hydrochloric Acid SCHEMBL6574391 0.82 MAOA (0.52) CA12ALDH1A1CA1CA2CA9
SCHEMBL9221165 0.80 CA12 (0.48) CA12ALDH1A1CA1CA2CA7
SCHEMBL28639432 0.78 MAOA (0.48) CA12ALDH1A1CA1CA2CA7
SCHEMBL3786999 0.78 CYP3A4 (0.50) CA12ALDH1A1CA1CA2CA7

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 CA12 1438/4885ALDH1A1 4339/4885CA1 3273/4885

“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.