SCHEMBL12725545

SCHEMBL12725545

COc1ccc(CNc2ccccc2C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
CD38 P28907 1/20 0.60
AURKA O14965 2/20 0.58
RPS6KB1 P23443 2/20 0.58
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
RECQL P46063 1/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 3/20 0.54
HIF1A Q16665 1/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL1505239 0.88 ALDH1A1 (0.68) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL12725538 0.88 HIF1A (0.53) MEN1KMT2ACD38AURKARPS6KB1
SCHEMBL28658000 0.87 AURKA (0.65) MEN1KMT2APKMCD38AURKA
SCHEMBL8366816 0.87 HDAC1 (0.58) MEN1KMT2APKMCD38AURKA
SCHEMBL9741286 0.86 NPC1 (0.53) MEN1KMT2ACD38AURKARPS6KB1
SCHEMBL30311719 0.85 RAB9A (0.65) MEN1KMT2AAURKARPS6KB1NPC1
SCHEMBL28642513 0.85 RAB9A (0.65) MEN1KMT2AAURKARPS6KB1NPC1
SCHEMBL28658005 0.83 RAB9A (0.59) MEN1KMT2ACD38NPC1KDM4E
SCHEMBL7760016 0.83 HPGD (0.53) MEN1KMT2ACD38NPC1KDM4E
SCHEMBL30311518 0.82 HSD17B10 (0.63) MEN1KMT2ACD38AURKARPS6KB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MEN1 124/4885KMT2A 2793/4885PKM 1101/4885

“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.