SCHEMBL13628971

SCHEMBL13628971

COc1ccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
TP53 P04637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAOB P27338 1/20 0.44
PPARD Q03181 3/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CACNA1B Q00975 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL4531947 0.91 NPC1 (0.57) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4529910 0.90 RAB9A (0.53) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4526333 0.90 MAOB (0.47) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4531813 0.89 MAOB (0.50) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4513591 0.88 MAOB (0.44) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4554556 0.87 MAOB (0.50) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4554804 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAOB
SCHEMBL4519352 0.86 PTGS2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAOB
SCHEMBL4553509 0.86 MAOB (0.43) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4523255 0.86 NPC1 (0.51) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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 SMN1; SMN2 4288/4885NPC1 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.