SCHEMBL4513591

SCHEMBL4513591

FC(F)(F)c1ccc(OCc2nc3cc(-c4cc[c]cc4)ccc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
CACNA1B Q00975 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRMT5 O14744 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4526333 0.89 MAOB (0.47) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4529910 0.89 RAB9A (0.53) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4531947 0.88 NPC1 (0.57) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4531813 0.88 MAOB (0.50) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL13628971 0.88 SMN1; SMN2 (0.57) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4533144 0.87 RAB9A (0.42) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4554556 0.86 MAOB (0.50) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14191870 0.85 MAOB (0.45) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4531371 0.84 PPARD (0.52) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4536368 0.83 MAOB (0.45) MAOBRAB9ANPC1SMN1; SMN2TP53

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 MAOB 1031/4885RAB9A 3194/4885NPC1 282/4885

“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.