SCHEMBL13628974

SCHEMBL13628974

CC(OO)c1cccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 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
SCHEMBL13628973 0.92 MAOB (0.42) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4554536 0.91 FFAR1 (0.43) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4523255 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL13628972 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL4536368 0.84 MAOB (0.45) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4553509 0.84 MAOB (0.43) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4529910 0.83 RAB9A (0.53) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4554546 0.82 FFAR1 (0.46) FFAR1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4529815 0.81 MAOB (0.45) NPC1RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL4526333 0.81 MAOB (0.47) NPC1RAB9ASMN1; SMN2MAOBLMNA

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-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 FFAR1 335/4885NPC1 282/4885RAB9A 3194/4885

“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.