SCHEMBL4514044

SCHEMBL4514044

CS(=O)(=O)c1ccccc1-c1ccc2[nH]c(COc3cccc(Br)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ROCK2 O75116 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 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
SCHEMBL4531704 0.91 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4443100 0.91 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4525999 0.90 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4533172 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4523317 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4513361 0.88 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4532504 0.87 TRPV1 (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4526396 0.86 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4531199 0.86 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4433765 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP claimed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US claimed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US claimed
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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.