SCHEMBL4891758

SCHEMBL4891758

CCc1cccnc1-c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.55
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4896642 0.88 HDAC1 (0.67) TRPV1HDAC1
SCHEMBL14182618 0.85 TRPV1 (0.53) TRPV1HDAC1
SCHEMBL3617701 0.84 TRPV1 (0.53) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL3618243 0.84 TRPV1 (0.60) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL4898389 0.83 TRPV1 (0.48) TRPV1MEN1NPC1RAB9ABLM
SCHEMBL4897389 0.80 PDE4A (0.52) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL14083477 0.78 TRPV1 (0.56) TRPV1MEN1NPC1RAB9ABLM
SCHEMBL4891217 0.76 TRPV1 (0.49) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL21973538 0.76 PTGS1 (0.46) TRPV1MAPT
SCHEMBL13869175 0.76 PTGS1 (0.46) TRPV1MAPT

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-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 TRPV1 2105/4885MEN1 1012/4885NPC1 2826/4885

“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.