SCHEMBL12358844

SCHEMBL12358844

C=C(O)c1ccccc1-c1ccc2[nH]c(-c3ccc(OCC(F)(F)C(F)(F)F)cc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC7 Q8WUI4 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 0.39
▸ HDAC11 Q96DB2 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ HDAC9 Q9UKV0 6/20 0.39
▸ HDAC5 Q9UQL6 6/20 0.39
▸ SCD O00767 1/20 0.39
▸ ACHE P22303 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL12359266 0.92 SCD (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12359272 0.88 HDAC3 (0.43) SCN5ASCN9AHDAC3HDAC4HDAC1
SCHEMBL12358670 0.86 TRPV1 (0.43) SCN5ASCN9ANPC1RAB9A
SCHEMBL12653207 0.83 SCN9A (0.37) SCN5ASCN9A
SCHEMBL12363936 0.83 TRPV1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12359212 0.82 NPC1 (0.38) SCDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL12358708 0.82 RAB9A (0.50) HDAC6SCDKDM4ENPC1ALDH1A1
SCHEMBL12359221 0.82 SCD (0.44) SCN5ASCN9AHDAC3HDAC4HDAC1
SCHEMBL12358860 0.81 DGAT1 (0.53) HDAC6SCDDGAT1KCNH2
SCHEMBL12358847 0.80 TRPV1 (0.47) SCN5ASCN9AHDAC3HDAC4HDAC1

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 SCN5A 1082/4885SCN9A 1573/4885HDAC3 1692/4885

“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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