SCHEMBL3780980

SCHEMBL3780980

Nc1ccccc1B1OB(c2ccccc2N)OB(c2ccccc2N)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.45
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 6/20 0.36
TDP1 Q9NUW8 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL3179138 0.78 CYP3A4 (0.39) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL3180807 0.78 CYP3A4 (0.39) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL13056711 0.77 ALOX15 (0.38) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL168780 0.75 LPL (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL20312435 0.75 CYP3A4 (0.36) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL31380588 0.75 LPL (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL9720384 0.75 ALOX15 (0.36) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL20312448 0.75 ALOX15 (0.36) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
Hydrochloric Acid SCHEMBL5117784 0.73 LPL (0.44) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL7858626 0.68 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A

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 CYP3A4 177/4885ALOX15 1941/4885SMN1; 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.