SCHEMBL3782804

SCHEMBL3782804

CC(=O)Nc1cccc(NC(C)=O)c1B(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ MAOA P21397 1/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.43

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
SCHEMBL4552467 0.87 ALDH1A1 (0.46) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL3792868 0.80 HPGD (0.47) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL521100 0.79 ALDH1A1 (0.59) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL29469169 0.79 ALDH1A1 (0.59) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL3792891 0.79 ALDH1A1 (0.48) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL2549708 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL3788778 0.79 CETP (0.54) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL3585917 0.77 ALDH1A1 (0.47) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL6689158 0.77 ALDH1A1 (0.74) ALDH1A1HPGDMAOACYP2C19POLB
SCHEMBL1900214 0.76 RXFP1 (0.66) ALDH1A1HPGDMAOACYP2C19POLB

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 4339/4885HPGD 2790/4885MAOA 348/4885

“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.

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