SCHEMBL3787789

SCHEMBL3787789

NC(=O)c1cccc(B(O)O)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 11/20 0.40
METAP2 P50579 1/20 0.39
GAA P10253 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDPK1 O15530 1/20 0.38
NPC1 O15118 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
SCHEMBL54119 0.81 KDM4E (0.52) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL29468958 0.81 KDM4E (0.52) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL466296 0.80 KDM4E (0.54) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL31255754 0.80 PARP1 (0.34) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3034247 0.80 PARP1 (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL29956608 0.78 PARP1 (0.41) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL402013 0.76 BCAT2 (0.56) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL2540273 0.75 PARP1 (0.46) BCAT2KDM4EALDH1A1MAPTHPGD
Alcohol SCHEMBL29246862 0.74 BCAT2 (0.50) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL6066755 0.74 KDM4E (0.48) BCAT2KDM4EALDH1A1MAPTHPGD

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 BCAT2 372/4885KDM4E 2606/4885ALDH1A1 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.