SCHEMBL4758358

SCHEMBL4758358

CCOC(=O)c1csc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL1198735 0.84 ALDH1A1 (0.66) RAB9ANPC1GAACLK1L3MBTL1
SCHEMBL14564380 0.83 RAB9A (0.58) RAB9ANPC1GAACLK1L3MBTL1
SCHEMBL5452193 0.82 SCN9A (0.71) SCN9ACYP2C9ALDH1A1ACHETLR7
SCHEMBL18003046 0.81 RAB9A (0.58) RAB9ANPC1GAACLK1L3MBTL1
SCHEMBL16398996 0.81 RAB9A (0.53) SCN9ACYP2C9RAB9ANPC1GAA
SCHEMBL15049085 0.80 MAPT (0.72) MAPTMEN1KMT2AKDM4E
SCHEMBL12875862 0.80 RAB9A (0.59) RAB9ANPC1GAACLK1L3MBTL1
SCHEMBL18002761 0.79 RAB9A (0.51) RAB9ANPC1GAACLK1ALDH1A1
SCHEMBL2080725 0.79 RAB9A (0.68) RAB9ANPC1GAACLK1L3MBTL1
SCHEMBL18002627 0.79 RAB9A (0.54) RAB9ANPC1GAACLK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618099-A4 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-07-16 — — EP disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 — — US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 — — US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 — — US disclosed
EP-1618099-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-25 — — EP disclosed
WO-2004094395-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-11-04 — — WO 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-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 70/4885CYP2C9 1715/4885RAB9A 3292/4885

“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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