SCHEMBL18002187

SCHEMBL18002187

O=Cc1cc(F)cc(OCc2ccc(OC(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ SCN1A P35498 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ MRGPRX4 Q96LA9 4/20 0.45
▸ MAOA P21397 4/20 0.44
▸ MAOB P27338 4/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ RAB9A P51151 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TACR2 P21452 1/20 0.36

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
SCHEMBL18002730 0.91 MAOA (0.44) SCN9ASCN3ASCN1ASCN2ASCN10A
SCHEMBL18002540 0.88 MAOA (0.46) MRGPRX4MAOAMAOBRAB9APPARG
SCHEMBL18002575 0.86 MAOA (0.46) MAOAMAOBRAB9APPARGPPARD
SCHEMBL18002663 0.85 MAOA (0.57) SCN9ASCN3ASCN1ASCN2ASCN10A
SCHEMBL21944596 0.83 MRGPRX4 (0.48) SCN9ASCN3ASCN1ASCN2ASCN10A
SCHEMBL18002358 0.83 MAOA (0.53) MRGPRX4MAOAMAOBRAB9A
SCHEMBL18002508 0.81 IDO1 (0.50) MAOAMAOBPTGDR2S1PR1RAB9A
SCHEMBL18002543 0.80 MAOA (0.50) MAOAMAOBRAB9APPARGPPARD
SCHEMBL18002222 0.79 MAOA (0.40) SCN9AMRGPRX4MAOAMAOB
SCHEMBL18002689 0.77 MAOB (0.70) MAOAMAOBRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US 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-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SCN9A 3205/4885SCN3A 1758/4885SCN1A 1012/4885

“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.

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