SCHEMBL3785880

SCHEMBL3785880

Nc1cccc(-c2cccc(N)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
MAOA P21397 2/20 0.48
ALDH1A1 P00352 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA14 Q9ULX7 1/20 0.45
USP7 Q93009 1/20 0.44
CYP3A4 P08684 2/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
IKBKB O14920 1/20 0.42
MCL1 Q07820 1/20 0.42
CHEK1 O14757 1/20 0.41
WEE1 P30291 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL28639432 0.88 MAOA (0.48) MAP4K4MAOAALDH1A1CA12CA1
SCHEMBL28447477 0.84 MAP4K4 (0.50) MAP4K4MAOAALDH1A1CA12CA1
SCHEMBL28403007 0.82 MAP4K4 (0.52) MAP4K4MAOAALDH1A1CA12CA1
SCHEMBL2442638 0.81 ALDH1A1 (0.62) MAP4K4MAOAALDH1A1CYP3A4CASP1
SCHEMBL30839741 0.81 ALDH1A1 (0.62) MAP4K4MAOAALDH1A1CYP3A4CASP1
SCHEMBL29636990 0.81 ALDH1A1 (0.62) MAP4K4MAOAALDH1A1CYP3A4CASP1
SCHEMBL31607638 0.81 ALDH1A1 (0.62) MAP4K4MAOAALDH1A1CYP3A4CASP1
SCHEMBL565298 0.81 ALDH1A1 (0.62) MAP4K4ALDH1A1HSD17B10MEN1KDM4E
SCHEMBL30646075 0.81 ALDH1A1 (0.62) MAP4K4ALDH1A1HSD17B10MEN1KDM4E
SCHEMBL15946065 0.81 MAOA (0.61) MAP4K4MAOAALDH1A1CA12CA1

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 MAP4K4 3704/4885MAOA 348/4885ALDH1A1 4339/4885

“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.