SCHEMBL3789926

SCHEMBL3789926

Nc1cc(Sc2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.48
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3787203 0.92 CYP3A4 (0.50) MAOACYP3A4HSD17B10TAAR1TDP1
SCHEMBL3787412 0.91 MAOA (0.59) MAOACYP3A4TSHRALDH1A1KDM4E
SCHEMBL10362293 0.85 TSHR (0.48) MAOACYP3A4HSD17B10TSHRMAPK1
SCHEMBL3783780 0.82 ALDH1A1 (0.48) MAOACYP3A4HSD17B10TSHRMAPK1
SCHEMBL3791331 0.80 MAOA (0.65) MAOACYP3A4ALDH1A1KDM4EMAPT
SCHEMBL3787334 0.80 MAOA (0.48) MAOACYP3A4HSD17B10TAAR1TDP1
SCHEMBL3785965 0.78 CYP3A4 (0.58) MAOACYP3A4HSD17B10TAAR1TDP1
SCHEMBL3792894 0.78 MAOA (0.69) MAOACYP3A4HSD17B10TAAR1TDP1
SCHEMBL4267156 0.78 MAOA (0.67) MAOACYP3A4HSD17B10TAAR1TDP1
SCHEMBL3995431 0.78 MAOA (0.67) MAOACYP3A4HSD17B10TAAR1TDP1

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 MAOA 348/4885CYP3A4 177/4885HSD17B10 1100/4885

“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.