SCHEMBL3784764

SCHEMBL3784764

Nc1ccc(-c2ccc(Oc3ccccc3)c(N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAOA P21397 1/20 0.53
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NLRP3 Q96P20 1/20 0.49
HSD17B10 Q99714 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL25135225 0.95 NCOA1 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL30393807 0.94 CYP1A2 (0.65) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL3789145 0.93 CYP1A2 (0.62) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL31090802 0.93 CYP1A2 (0.62) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL27718005 0.89 MAPT (0.53) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL30393884 0.87 CYP1A2 (0.61) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL3785409 0.86 CYP1A2 (0.56) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL31019387 0.86 MAOA (0.53) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL3793152 0.86 MAOA (0.53) CYP3A4CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL7015396 0.86 CYP3A4 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19MAOA

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 177/4885CYP1A2 170/4885CYP2C9 157/4885

“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.