SCHEMBL3787769

SCHEMBL3787769

CCc1csc(B(O)O)c1N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3790986 0.78 LPL (0.30)
SCHEMBL3790184 0.72
SCHEMBL3784458 0.72 ALDH1A1 (0.37) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL8182063 0.70 POLB (0.34) ALDH1A1POLBMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL29505744 0.68 ALDH1A1 (0.33) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2470504 0.68 ALDH1A1 (0.44) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL3784773 0.67 LPL (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL7028655 0.67 ALDH1A1 (0.42) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL18721969 0.65 POLB (0.35) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL3789254 0.65 MAPT (0.34)

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 4339/4885POLB 2303/4885MAPK1 4726/4885

“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.