SCHEMBL3790973

SCHEMBL3790973

CCOc1cc(N)cc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ENPP2 Q13822 2/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PARP10 Q53GL7 1/20 0.38
NQO1 P15559 1/20 0.37
NPC1 O15118 3/20 0.36
GAA P10253 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3789975 0.86 NQO1 (0.44) TP53CYP3A4TDP1TSHRENPP2
SCHEMBL3785254 0.86 TSHR (0.39) TP53CYP3A4TSHRALDH1A1KDM4E
SCHEMBL3792825 0.84 TSHR (0.45) TP53TSHRALDH1A1KDM4EENPP2
SCHEMBL7043105 0.80 TP53 (0.61) TP53CYP3A4TDP1TSHRALDH1A1
SCHEMBL2153419 0.80 TP53 (0.61) TP53CYP3A4TDP1TSHRALDH1A1
SCHEMBL12982504 0.79 NQO1 (0.38) TP53CYP3A4ENPP2MEN1KMT2A
SCHEMBL31437777 0.79 ENPP2 (0.48) CYP3A4ALDH1A1ENPP2MAPTKMT2A
SCHEMBL3790054 0.79 ENPP2 (0.52) CYP3A4TDP1ALDH1A1KDM4EENPP2
SCHEMBL16687407 0.78 NQO1 (0.37) TP53CYP3A4TDP1TSHRKDM4E
SCHEMBL1979081 0.78 FGFR1 (0.41) TP53CYP3A4TDP1TSHRALDH1A1

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 TP53 2819/4885CYP3A4 177/4885TDP1 4196/4885

“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.