SCHEMBL1638779

SCHEMBL1638779

COc1ccc(C(Nc2ccccc2C(N)=O)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.46
MAPK10 P53779 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
MAPK8 P45983 4/20 0.45
GAA P10253 1/20 0.44
RPS6KB1 P23443 3/20 0.44
AURKA O14965 2/20 0.44
MAPK9 P45984 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL1637543 0.88 ATM (0.47) MEN1KMT2APKMATMNPC1
SCHEMBL1638751 0.83 ATM (0.43) MEN1KMT2AATMNPC1RAB9A
SCHEMBL1639002 0.81 ATM (0.44) MEN1KMT2AATMNPC1RAB9A
SCHEMBL27773270 0.80 KDM4E (0.46) MEN1KMT2APKMNPC1RAB9A
SCHEMBL9298424 0.79 ALDH1A1 (0.57) MEN1KMT2AATMNPC1RAB9A
SCHEMBL2485730 0.79 ALDH1A1 (0.57) MEN1KMT2AATMNPC1RAB9A
Hydrochloric Acid SCHEMBL2483358 0.77 ALDH1A1 (0.57) MEN1KMT2AATMNPC1RAB9A
SCHEMBL13240792 0.77 KDM4E (0.56) MEN1KMT2APKMATMMAPK10
SCHEMBL7575664 0.76 ALDH1A1 (0.61) MEN1KMT2AATMNPC1RAB9A
SCHEMBL28159610 0.75 KDM4E (0.53) MEN1KMT2APKMATMMAPK10

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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 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 (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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MEN1 124/4885KMT2A 2793/4885PKM 1101/4885
US-20090247766-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.