SCHEMBL4062369

SCHEMBL4062369

CC(=O)c1cnc(N(C)c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)ccc2Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TRPV1 Q8NER1 7/20 0.47
▸ TP53 P04637 1/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL2685870 0.93 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2683977 0.92 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2686083 0.92 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2688070 0.92 BCAT2 (0.49) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2685314 0.88 MAPT (0.47) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2687840 0.87 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2684378 0.85 TRPV1 (0.61) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL2687034 0.79 MEN1 (0.47) NPC1RAB9ASMN1; SMN2TRPV1KCNQ3
SCHEMBL2686986 0.79 TRPV1 (0.55) NPC1RAB9ASMN1; SMN2TRPV1NAMPT
SCHEMBL6109278 0.77 TRPV1 (0.59) NPC1RAB9ASMN1; SMN2TRPV1TP53

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-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — 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-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 NPC1 936/4885RAB9A 2003/4885SMN1; SMN2 3730/4885

“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.

Send feedback