SCHEMBL12453021

SCHEMBL12453021

O=C1NCc2cc(CCNC(=O)C(F)(F)F)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cccc(c2)-c2nc(co2)-c2nc1co2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
NQO2 P16083 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CDK8 P49336 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL12452973 0.93 MTNR1A (0.33) MTNR1AMTNR1BCACNA1BAPBA1
SCHEMBL12452981 0.87
SCHEMBL12453010 0.85 AKT1 (0.39) NQO2
SCHEMBL12453024 0.79 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL12452977 0.73 TERT (0.38)
SCHEMBL12452890 0.68 TERT (0.34) HSD17B1HSD17B2
SCHEMBL12453014 0.68 PARP1 (0.34)
SCHEMBL12452846 0.68 TERT (0.32) TAAR1
SCHEMBL12452970 0.67 PIM1 (0.33)
SCHEMBL12667228 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed
US-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 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-20120238595-A1 THERAPEUTIC COMPOUNDS CCNY, MKI67, MCL1 MTNR1A 214/4885MTNR1B 348/4885HDAC1 201/4885

“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.