SCHEMBL3784971

SCHEMBL3784971

NC[CH]Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.61
TAAR1 Q96RJ0 5/20 0.57
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
IDO1 P14902 4/20 0.50
CYP3A4 P08684 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 2/20 0.46
AOC3 Q16853 1/20 0.44

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
SCHEMBL27715138 0.82 PNMT (0.52) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL27453410 0.77 PNMT (0.47) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL167780 0.77 PNMT (0.56) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL5311 0.76
SCHEMBL29585607 0.76
SCHEMBL9131503 0.76 PNMT (0.55) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL771274 0.75 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL6083088 0.75 HTR3E (0.55) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL28879871 0.75 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL3084924 0.75 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A

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 PNMT 709/4885TAAR1 1746/4885HTR3E 1267/4885

“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.