SCHEMBL3786065

SCHEMBL3786065

CSc1cccc(-c2ccc(N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAOA P21397 1/20 0.43
BACE1 P56817 2/20 0.43
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL3804537 0.86 MAOA (0.56) CYP3A4IDO1MAOAMEN1CA12
SCHEMBL30849630 0.83 IDO1 (0.50) HSD17B10IDO1ALDH1A1TP53MAOA
SCHEMBL3480820 0.83 IDO1 (0.50) HSD17B10IDO1ALDH1A1TP53MAOA
SCHEMBL12947919 0.82 IDO1 (0.46) CYP3A4IDO1BACE1MEN1MAPT
SCHEMBL12919971 0.81 AKR1C3 (0.47) CYP3A4IDO1BACE1
SCHEMBL970462 0.80 ALDH1A1 (0.48) HSD17B10CYP3A4IDO1ALDH1A1TP53
SCHEMBL3783494 0.80 MAOA (0.59) TAAR1CYP3A4MAOAMEN1CA12
SCHEMBL3787437 0.79 PTGS2 (0.56) TAAR1HSD17B10CYP3A4TDP1ALDH1A1
SCHEMBL17153782 0.79 IDO1 (0.47) HSD17B10CYP3A4IDO1ALDH1A1TP53
SCHEMBL3785965 0.78 CYP3A4 (0.58) TAAR1HSD17B10CYP3A4TDP1ALDH1A1

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 TAAR1 1746/4885HSD17B10 1100/4885CYP3A4 177/4885

“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.