SCHEMBL3785965

SCHEMBL3785965

Nc1ccc(-c2cccc(Sc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TAAR1 Q96RJ0 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAOA P21397 1/20 0.52
ANXA2 P07355 1/20 0.50
S100A10 P60903 1/20 0.50
HTR2C P28335 1/20 0.49
HTR6 P50406 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 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
SCHEMBL21603037 0.88 MAOA (0.47) CYP3A4HSD17B10MAOAANXA2S100A10
SCHEMBL16361082 0.88 MAOA (0.47) CYP3A4HSD17B10MAOAANXA2S100A10
SCHEMBL29540354 0.88 HTR2C (0.48) HSD17B10MAOAHTR2CHTR6ALDH1A1
SCHEMBL28741318 0.88 HTR2C (0.48) HSD17B10MAOAHTR2CHTR6ALDH1A1
SCHEMBL3791331 0.86 MAOA (0.65) CYP3A4MAOAANXA2S100A10HTR2C
SCHEMBL4985310 0.86 CYP3A4 (0.71) CYP3A4HSD17B10TAAR1TDP1MAOA
SCHEMBL3784907 0.86 CYP3A4 (0.67) CYP3A4HSD17B10TAAR1TDP1MAOA
SCHEMBL16361079 0.85 MAOA (0.48) CYP3A4HSD17B10MAOAHTR2CHTR6
SCHEMBL3792894 0.85 MAOA (0.69) CYP3A4HSD17B10TAAR1TDP1MAOA
SCHEMBL3787203 0.83 CYP3A4 (0.50) CYP3A4HSD17B10TAAR1TDP1MAOA

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 177/4885HSD17B10 1100/4885TAAR1 1746/4885

“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.