SCHEMBL1471437

SCHEMBL1471437

O=C1c2ccccc2C(=O)N1CCSc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LPAR2 Q9HBW0 1/20 0.46

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
SCHEMBL7919296 0.77 RAB9A (0.76) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10421957 0.76 RAB9A (1.00) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL68951 0.74 HSPA5 (0.46) NPC1RAB9ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL1471497 0.74 RAB9A (0.52) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL1436242 0.73 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL18377185 0.73 NPC1 (0.63) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL9084403 0.72 MAPK1 (0.71) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL6699936 0.72 GLS (0.71) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL1307183 0.72 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL20381207 0.72 RAB9A (0.62) NPC1RAB9ASMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (2 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 NPC1 514/4885RAB9A 3100/4885SMN1; SMN2 519/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 NPC1 514/4885RAB9A 3100/4885SMN1; SMN2 519/4885

“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.