SCHEMBL17260646

SCHEMBL17260646

O=c1oc2cc(OCCC3CCCCC3)ccc2n1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.44
GRM2 Q14416 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 8/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 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
SCHEMBL17268188 0.84 NFE2L2 (0.40) NFE2L2GRM2HPGDMAOB
SCHEMBL17260652 0.83 MET (0.42) NFE2L2GRM2HPGDALDH1A1MAOB
SCHEMBL17260683 0.79 TP53 (0.53) TP53HPGDKMT2AALDH1A1HTT
SCHEMBL17260686 0.75 ACHE (0.52) TP53KMT2AMEN1ALDH1A1MAOB
SCHEMBL17260660 0.71 NFE2L2 (0.48) NFE2L2GRM2HPGD
SCHEMBL5098984 0.68 PIM1 (0.53) NFE2L2GRM2TP53HPGDKMT2A
SCHEMBL10987080 0.66 TDP1 (0.55) TP53HPGDKMT2AALDH1A1POLB
SCHEMBL15864182 0.66 MET (0.48) TP53HPGDKMT2AALDH1A1POLB
SCHEMBL27980673 0.66 NFE2L2 (0.70) NFE2L2GRM2HPGD
SCHEMBL4654566 0.64 NFE2L2 (0.51) NFE2L2HPGDPTGESALOX5MAOB

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
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

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 NFE2L2 2226/4885GRM2 3488/4885TP53 4568/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 NFE2L2 2226/4885GRM2 3488/4885TP53 4568/4885

“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.