SCHEMBL9976091

SCHEMBL9976091

O=c1cc(COc2cccnc2)occ1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.65
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.45
LDHA P00338 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
IKBKB O14920 1/20 0.41

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
SCHEMBL9976047 0.89 DAO (0.60) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL9976088 0.81 DAO (0.59) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL9010390 0.79 DAO (0.68) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL30150593 0.78 RAB9A (0.62) MEN1KMT2ARAB9AMAPK1MAPT
SCHEMBL1323646 0.78 RAB9A (0.62) MEN1KMT2ARAB9AMAPK1MAPT
Bromide SCHEMBL27462942 0.76 RAB9A (0.60) MEN1KMT2ARAB9AMAPK1MAPT
SCHEMBL1584925 0.76 RAB9A (0.56) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL2116925 0.76 RAB9A (0.75) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL11863320 0.76 LOXL2 (0.57) DAOMEN1KMT2ARAB9ANPC1
SCHEMBL2116138 0.76 KMT2A (0.59) DAOMEN1KMT2ARAB9ANPC1

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 4 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
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 DAO 2704/4885MEN1 3018/4885KMT2A 17/4885

“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.