SCHEMBL3785174

SCHEMBL3785174

Nc1cccc(-c2ccc(O)cc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 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
ALOX5 P09917 1/20 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

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
SCHEMBL3781697 0.85 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6011365 0.85 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6011321 0.84 MAOA (0.54) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6011268 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3793193 0.82 ALOX5 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28639432 0.78 MAOA (0.48) CA12CA1CA2CA7CA9
SCHEMBL3790537 0.78 MAOA (0.52) CA12CA1CA2CA7CA9
SCHEMBL3793506 0.78 CA14 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27387421 0.78 ADORA2A (0.46) ESR2
SCHEMBL30469326 0.77 CA12 (0.73) CA12CA1CA2CA7CA9

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 1438/4885CA1 3273/4885CA2 1992/4885

“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.