Sugi Predict

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SCHEMBL4495572

SCHEMBL4495572

FC(F)(F)c1ccc(-c2cccc(-c3nc[nH]n3)c2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ SCN9A Q15858 5/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ ABCC8 Q09428 1/20 0.38
▸ KCNJ11 Q14654 1/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ SCN2A Q99250 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34

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
SCHEMBL4559050 0.85 SCN9A (0.56) ALOX5APFEN1SCN9A
SCHEMBL31145014 0.83 IDO1 (0.54) IDO1CTSSCTSKSCN2APIM1
SCHEMBL7864145 0.83 IDO1 (0.54) IDO1CTSSCTSKSCN2APIM1
SCHEMBL4490013 0.80 TRPA1 (0.46) SCN9ACYP2C9IDO1SCN5AMRGPRX4
SCHEMBL4489557 0.77 CYP2C9 (0.44) ALOX5APFEN1SCN9ACYP2C9IDO1
SCHEMBL4564282 0.75 SCN9A (0.50) ALOX5APFEN1SCN9ACYP2C9EDNRB
SCHEMBL24017179 0.74 SCN9A (0.44) ALOX5APFEN1SCN9ACYP2C9PRMT5
SCHEMBL2443970 0.73 KIF11 (0.45) SCN2AMRGPRX4GSK3BNOTUM
SCHEMBL24017228 0.73 EDNRB (0.45) ALOX5APFEN1SCN9ACYP2C9PRMT5
SCHEMBL13754836 0.73 ALOX5AP (0.46) ALOX5APFEN1SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 — — US disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 — — EP disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 — — US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 — — US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 — — US disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 — — US disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 — — 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 (3 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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B ALOX5AP 2474/4885FEN1 4860/4885SCN9A 56/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 ALOX5AP 2444/4885FEN1 4847/4885SCN9A 67/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B ALOX5AP 2474/4885FEN1 4860/4885SCN9A 56/4885

“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.