SCHEMBL13628983

SCHEMBL13628983

CCOCc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
KMT2A Q03164 2/20 0.47
KCNJ1 P48048 1/20 0.40
DDAH1 O94760 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL31709424 0.84 NPC1 (0.49) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL12350646 0.82 DDAH1 (0.58) NPC1RAB9AKMT2ADDAH1SMN1; SMN2
SCHEMBL31569739 0.78 RAB9A (0.44) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL8278820 0.78 DDAH1 (0.66) NPC1RAB9AKMT2ADDAH1SMN1; SMN2
SCHEMBL11223673 0.77 TUBB4A (0.42) TSHRLMNA
SCHEMBL12940747 0.76 HSD17B10 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1976712 0.76 TDP1 (0.51) NPC1RAB9AKMT2ADDAH1SMN1; SMN2
SCHEMBL13628993 0.76 RAB9A (0.42) NPC1RAB9AKMT2ADDAH1SMN1; SMN2
SCHEMBL31570020 0.76 TDP1 (0.51) NPC1RAB9AKMT2ADDAH1SMN1; SMN2
SCHEMBL17513343 0.76 CACNA1H (0.50) NPC1RAB9AKMT2ADDAH1SMN1; SMN2

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 NPC1 282/4885RAB9A 3194/4885KMT2A 4261/4885

“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.