SCHEMBL17260660

SCHEMBL17260660

O=c1[nH]c2ccc(OCCC3CCCCC3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.48
KDM1A O60341 1/20 0.48
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HPGD P15428 12/20 0.46
MAPT P10636 1/20 0.45
ENPP2 Q13822 2/20 0.43
GRM2 Q14416 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL17260656 0.78 MAPT (0.47) MAPTENPP2HTR1A
SCHEMBL17260692 0.77 CA12 (0.56) KDM1APDE3BPDE3AMAPT
SCHEMBL19048005 0.76 KDM1A (0.63) KDM1A
SCHEMBL2026158 0.74 ALDH1A1 (0.50) KDM1APDE3BPDE3AHPGDMAPT
SCHEMBL3640425 0.74 ALDH1A1 (0.50) KDM1APDE3BPDE3AHPGDMAPT
SCHEMBL246056 0.73 MAPT (0.43) KDM1APDE3BPDE3AMAPTENPP2
SCHEMBL17260641 0.73 ACHE (0.56) KDM1A
SCHEMBL7402955 0.72 MAOB (0.70) KDM1AMAPT
SCHEMBL19139451 0.72 NOS1 (0.46) KDM1APDE3BPDE3AMAPT
SCHEMBL17260646 0.71 NFE2L2 (0.44) NFE2L2HPGDGRM2

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
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

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 2226/4885KDM1A 1580/4885PDE3B 1284/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 NFE2L2 2226/4885KDM1A 1580/4885PDE3B 1284/4885

“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.