SCHEMBL3784907

SCHEMBL3784907

Nc1ccc(-c2ccc(Sc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.67
TSHR P16473 2/20 0.67
MAPK1 P28482 1/20 0.67
TDP1 Q9NUW8 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TAAR1 Q96RJ0 1/20 0.64
ALDH1A1 P00352 5/20 0.52
TP53 P04637 1/20 0.52
KDM1A O60341 1/20 0.50
ANXA2 P07355 1/20 0.48
S100A10 P60903 1/20 0.48
MAPT P10636 5/20 0.45
HPGD P15428 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL4985310 0.95 CYP3A4 (0.71) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL202221 0.93 CYP3A4 (0.78) CYP3A4TSHRMAPK1TDP1HSD17B10
Hydrochloric Acid SCHEMBL9230960 0.90 CYP3A4 (0.74) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL9153502 0.90 CYP3A4 (0.82) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL9647851 0.90 CYP3A4 (0.82) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL1270077 0.90 CYP3A4 (0.82) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL9485845 0.90 CYP3A4 (0.82) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL29177683 0.88 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1HSD17B10
4,4'-Thiodianiline SCHEMBL28778309 0.87 CYP3A4 (0.88) CYP3A4TSHRMAPK1TDP1HSD17B10
SCHEMBL2754909 0.87 MAOA (0.54) CYP3A4TSHRMAPK1TDP1HSD17B10

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 177/4885TSHR 1688/4885MAPK1 4726/4885

“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.