SCHEMBL12359272

SCHEMBL12359272

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.43
▸ HDAC4 P56524 10/20 0.43
▸ HDAC1 Q13547 10/20 0.43
▸ HDAC7 Q8WUI4 10/20 0.43
▸ HDAC2 Q92769 10/20 0.43
▸ HDAC10 Q969S8 10/20 0.43
▸ HDAC11 Q96DB2 10/20 0.43
▸ HDAC8 Q9BY41 10/20 0.43
▸ HDAC6 Q9UBN7 10/20 0.43
▸ HDAC9 Q9UKV0 10/20 0.43
▸ HDAC5 Q9UQL6 10/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ ACHE P22303 1/20 0.40
▸ CHEK2 O96017 2/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL12359203 0.92 TRPV1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12358844 0.88 SCN5A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1797235 0.87 TRPV1 (0.44) TRPV1DHODHSCN5ASCN9A
SCHEMBL1800295 0.87 TRPV1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1801579 0.86 TRPV1 (0.62) TRPV1
SCHEMBL1801578 0.86 TRPV1 (0.62) TRPV1
SCHEMBL12363936 0.84 TRPV1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1797801 0.84 TRPV1 (0.38) TRPV1SCN5ASCN9A
SCHEMBL12359221 0.83 SCD (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12359214 0.83 TRPV1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HDAC3 1692/4885HDAC4 926/4885HDAC1 1579/4885

“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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