SCHEMBL3789395

SCHEMBL3789395

Nc1ccccc1-c1cccc(Sc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
HTR2C P28335 2/20 0.43
HTR6 P50406 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
LIMK1 P53667 1/20 0.38
ADORA2A P29274 2/20 0.38
DHFR P00374 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
ANXA2 P07355 1/20 0.38
S100A10 P60903 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.37

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
SCHEMBL1270615 0.96 ALDH1A1 (0.56) ALDH1A1HSD17B10HTR2CHTR6L3MBTL1
Diphenylsulfane SCHEMBL19712994 0.88 ALDH1A1 (0.74) ALDH1A1HSD17B10HTR2CHTR6L3MBTL1
SCHEMBL3791339 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1ADORA3MAOA
SCHEMBL3783780 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10HTR2CHTR6L3MBTL1
SCHEMBL3781022 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1ADORA3ADORA2A
Hydrochloric Acid SCHEMBL9311506 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1ADORA3ADORA2A
SCHEMBL3790938 0.80 MAOA (0.48) ALDH1A1HSD17B10HTR2CHTR6MAOA
SCHEMBL3803337 0.80 MAOA (0.48) ALDH1A1HSD17B10HTR2CHTR6MAOA
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1ADORA3MAOA
SCHEMBL3790361 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10HTR2CHTR6L3MBTL1

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 ALDH1A1 4339/4885HSD17B10 1100/4885HTR2C 1200/4885

“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.