SCHEMBL9976079

SCHEMBL9976079

O=c1cc(/C=C/c2cccnc2)occ1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.62
ALOX5 P09917 2/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
DAO P14920 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
JUN P05412 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL8398565 0.84 APP (0.76) APPHRH3KDM4ENPC1MAPT
SCHEMBL8398561 0.84 APP (0.76) APPHRH3KDM4ENPC1MAPT
SCHEMBL9636069 0.75 APP (0.77) APPALOX5PTGS1PTGS2DAO
SCHEMBL9636066 0.75 APP (0.77) APPALOX5PTGS1PTGS2DAO
SCHEMBL9975966 0.74 KDM4E (0.72) CYP11B1CYP11B2KDM4ENPC1JUN
SCHEMBL9637404 0.71 APP (0.70) APPALOX5PTGS1PTGS2HRH3
SCHEMBL9637407 0.71 APP (0.70) APPALOX5PTGS1PTGS2HRH3
SCHEMBL29419007 0.71 CYP11B1 (0.86) ALOX5PTGS1PTGS2CYP11B1CYP11B2
SCHEMBL29691639 0.71 CYP11B1 (0.86) ALOX5PTGS1PTGS2CYP11B1CYP11B2
SCHEMBL29691623 0.71 CYP11B1 (0.86) ALOX5PTGS1PTGS2CYP11B1CYP11B2

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-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B APP 1853/4885ALOX5 4484/4885PTGS1 1270/4885

“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.