SCHEMBL3786933

SCHEMBL3786933

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
TP53 P04637 1/20 0.46
PLAU P00749 1/20 0.42
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TAAR1 Q96RJ0 2/20 0.39
ESR2 Q92731 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.36
GFER P55789 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KIF11 P52732 2/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 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
SCHEMBL3786738 0.86 HSD17B10 (0.52) CYP3A4ALDH1A1TDP1HSD17B10ALOX15
SCHEMBL3804820 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TP53PLAU
SCHEMBL3789745 0.82 MAOA (0.50) CYP3A4ALDH1A1TDP1HSD17B10ALOX15
SCHEMBL33604 0.82 PRKCI (0.41) CYP3A4ALDH1A1TDP1HSD17B10ALOX15
SCHEMBL29437148 0.82 PRKCI (0.41) CYP3A4ALDH1A1TDP1HSD17B10ALOX15
SCHEMBL3786331 0.81 CYP3A4 (0.48) CYP3A4ALDH1A1TDP1TP53PLAU
Hydrochloric Acid SCHEMBL11286227 0.80 MAPT (0.43) CYP3A4ALDH1A1TDP1TP53HSD17B10
SCHEMBL38659638 0.80 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1TP53PLAU
SCHEMBL3901609 0.80 KIF11 (0.50) KIF11
SCHEMBL28191524 0.79 TDP1 (0.46) CYP3A4ALDH1A1TDP1TP53PLAU

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 177/4885ALDH1A1 4339/4885TDP1 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.