SCHEMBL12359120

SCHEMBL12359120

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CHEK2 O96017 1/20 0.46
▸ BRD4 O60885 5/20 0.46
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPSE Q9Y251 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ HSPD1 P10809 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ HSPE1 P61604 1/20 0.41
▸ SCD O00767 2/20 0.40
▸ FADS1 O60427 1/20 0.40

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
SCHEMBL12358859 0.88 TRPV1 (0.42) HDAC6CHEK2BRD4MAPTSMN1; SMN2
SCHEMBL12358695 0.86 SCD (0.52) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL1797468 0.85 NTRK1 (0.43) BRD4NPC1RAB9A
SCHEMBL1796929 0.85 TRPV1 (0.59) BRD4
SCHEMBL1797926 0.85 TRPV1 (0.43) HDAC6BRD4MAPTTP53
SCHEMBL1796931 0.85 TRPV1 (0.59) BRD4
SCHEMBL1798025 0.82 BRD4 (0.41) BRD4MAPT
SCHEMBL12359119 0.82 KMT2A (0.53) HDAC6CHEK2BRD4MAPTSMN1; SMN2
SCHEMBL12359107 0.82 KDM4E (0.45) CHEK2MAPTSMN1; SMN2TP53NPC1
SCHEMBL12358817 0.81 HDAC6 (0.48) HDAC6CHEK2BRD4NPC1RAB9A

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 HDAC6 2116/4885CHEK2 3484/4885BRD4 405/4885

“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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