SCHEMBL17260641

SCHEMBL17260641

O=c1[nH]c2ccc(OCCc3ccccc3)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOB P27338 13/20 0.54
MAOA P21397 11/20 0.54
SLC16A3 O15427 1/20 0.53
KDM1A O60341 1/20 0.50
PRKDC P78527 1/20 0.47

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
SCHEMBL3910083 0.86 MAOB (0.71) ACHEMEN1RAB9AKMT2AMAOB
SCHEMBL17260692 0.80 CA12 (0.56) MEN1KMT2AMAOBMAOAKDM1A
SCHEMBL17268194 0.80 IL4I1 (0.56) MEN1KMT2AMAOBMAOA
SCHEMBL7402955 0.78 MAOB (0.70) ACHEMEN1KMT2AMAOBKDM1A
SCHEMBL10503336 0.75 MAOB (0.67) ACHEMEN1KMT2AMAOBMAOA
SCHEMBL16963882 0.74 NOS1 (0.59) MEN1KMT2A
SCHEMBL17260660 0.73 NFE2L2 (0.48) KDM1A
SCHEMBL7424114 0.72 ACHE (1.00) ACHEMEN1RAB9AKMT2AMAOB
SCHEMBL8112791 0.71 NOS1 (0.56) MEN1KMT2A
Coixol SCHEMBL29389732 0.71 NOS1 (0.61) MEN1RAB9AKMT2AMAOBMAOA

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-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 US disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 US disclosed
WO-2015173168-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 WO disclosed
WO-2015173168-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 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 (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-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 ACHE 945/4885MEN1 4313/4885RAB9A 3598/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 ACHE 945/4885MEN1 4313/4885RAB9A 3598/4885

“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.