SCHEMBL17260679

SCHEMBL17260679

O=c1[nH]c2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.56
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
OGT O15294 1/20 0.48
KDM4E B2RXH2 2/20 0.46
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMO O15229 1/20 0.46
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CDK2 P24941 1/20 0.44
AKT1 P31749 1/20 0.44
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL14934095 0.88 NOS1 (0.54) NOS1PDE3BPDE3AOGTKDM4E
SCHEMBL1331615 0.86 NOS1 (0.56) NOS1PDE3BPDE3AOGTKDM4E
SCHEMBL2054650 0.82 NOS1 (0.61) NOS1PDE3BPDE3AOGTKDM4E
SCHEMBL16208493 0.80 KIF11 (0.60) KIF11GRM5
SCHEMBL29442125 0.79 MAOA (0.60) KDM4EMAOAMAOBKIF11
SCHEMBL5329059 0.79 MAOA (0.60) KDM4EMAOAMAOBKIF11
SCHEMBL26382710 0.79 PSMB8 (0.56) KDM4EALDH1A1KIF11
SCHEMBL10205640 0.77 NOS1 (0.54) NOS1PDE3BPDE3AOGTKDM4E
SCHEMBL17261316 0.77 PDE3B (0.68) NOS1PDE3BPDE3AOGTKDM4E
SCHEMBL29442143 0.76 MAPT (0.54) MAOAMAOBKIF11

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 NOS1 3304/4885PDE3B 1284/4885PDE3A 973/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 NOS1 3304/4885PDE3B 1284/4885PDE3A 973/4885

“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.