SCHEMBL3789244

SCHEMBL3789244

NC(=O)c1cc(B(O)O)cc(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL28970077 0.89 CA5A (0.40) PARP1CYP3A4SMN1; SMN2DHODHTSHR
SCHEMBL25159898 0.87 PARP1 (0.45) PARP1CYP3A4SMN1; SMN2TSHRPOLB
SCHEMBL16899205 0.87 ALDH1A1 (0.42) PARP1CYP3A4SMN1; SMN2TSHRPOLB
SCHEMBL14120715 0.85 PARP1 (0.52) PARP1CYP3A4SMN1; SMN2PDE3BPARP10
SCHEMBL29588575 0.85 PARP1 (0.47) PARP1CYP3A4SMN1; SMN2TSHRPOLB
SCHEMBL29821986 0.85 PARP1 (0.52) PARP1CYP3A4SMN1; SMN2PDE3BPARP10
SCHEMBL5149218 0.85 PARP1 (0.47) PARP1CYP3A4SMN1; SMN2TSHRPOLB
SCHEMBL813450 0.81 PARP1 (0.53) PARP1CYP3A4SMN1; SMN2DHODHTSHR
SCHEMBL25160028 0.80 TRPV1 (0.41) CYP3A4SMN1; SMN2DHODHMAPTBLM
SCHEMBL3319951 0.79 CYP3A4 (0.70) PARP1CYP3A4SMN1; SMN2TSHRALDH1A1

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 PARP1 3661/4885CYP3A4 177/4885SMN1; SMN2 4524/4885

“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.