SCHEMBL4530253

SCHEMBL4530253

FC(F)(F)c1ccc(OCc2nc3cc(-c4[c]cccc4)ccc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.41
PDE10A Q9Y233 2/20 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
SCHEMBL4529910 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4513591 0.83 MAOB (0.44) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4533144 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4526333 0.81 MAOB (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4512876 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4536251 0.80 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4515791 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4536368 0.80 MAOB (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4530589 0.80 NPC1 (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL13628971 0.80 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR

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 RAB9A 3194/4885NPC1 282/4885SMN1; SMN2 4288/4885

“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.