SCHEMBL12453024

SCHEMBL12453024

CN(C)CCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cccc(c1)-c1nc(co1)-c1nc(co1)C(=O)NC2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HTR7 P34969 3/20 0.32
PARP1 P09874 1/20 0.30
HTR1A P08908 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
SCHEMBL12452974 0.92 PARP1 (0.32) PARP1
SCHEMBL12453014 0.81 PARP1 (0.34) PARP1
SCHEMBL12453021 0.79 MTNR1A (0.32) HSD17B1HSD17B2
SCHEMBL12453010 0.79 AKT1 (0.39)
SCHEMBL12667228 0.76
SCHEMBL12452999 0.76 NOTUM (0.31)
SCHEMBL12452846 0.74 TERT (0.32)
SCHEMBL12452847 0.74 TERT (0.32)
SCHEMBL12453060 0.74 TERT (0.31)
SCHEMBL12452890 0.73 TERT (0.34) HSD17B1HSD17B2

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-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed
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
US-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 US disclosed
WO-2011057126-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-05-12 WO 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 HSD17B1 1944/4885HSD17B2 2402/4885HTR7 3522/4885

“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.