SCHEMBL15539645

SCHEMBL15539645

COc1ccc(-c2cn(C(c3ccccc3)c3ccccc3)c(=O)[nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.60
GAA P10253 2/20 0.53
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MAP2K1 Q02750 1/20 0.40
NPC1 O15118 1/20 0.40
TNKS O95271 1/20 0.40
GUSB P08236 1/20 0.40
PARP1 P09874 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL15537447 0.85 MET (0.64) METGAA
SCHEMBL15538650 0.80 MET (0.56) METGAAOPRM1OPRK1TNKS
SCHEMBL23621423 0.76 MET (0.75) METGAAALDH1A1
SCHEMBL15539468 0.74 MET (0.56) METGAAHPGD
SCHEMBL12501011 0.70 GAA (1.00) METGAAMEN1KMT2A
SCHEMBL17243355 0.68 GAA (0.58) METGAAMEN1KMT2A
SCHEMBL17243356 0.68 GAA (0.58) METGAAMEN1KMT2A
SCHEMBL12410795 0.66 GAA (0.64) METGAANPSR1MEN1KMT2A
SCHEMBL12410758 0.66 GAA (0.64) METGAAMEN1KMT2A
SCHEMBL16652457 0.65 ALDH1A1 (0.68) GAAKDM4EALDH1A1MAP2K1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875006-B1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2018-12-26 EP disclosed
US-9428465-B2 Acid ceramidase inhibitors and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2016-08-30 US disclosed
EP-2875006-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano Di Tecnologia (IT) 2015-05-27 EP disclosed
US-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-23 US disclosed
WO-2013178576-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2013-12-05 WO 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-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 MET 4321/4885GAA 16/4885OPRM1 4667/4885

“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.