SCHEMBL15134348

SCHEMBL15134348

CNCCNNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.36
CA14 Q9ULX7 2/20 0.35
EPHX1 P07099 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL15308707 0.82 APLNR (0.41) APLNRTDP1GAAMEN1KMT2A
SCHEMBL2087588 0.82 TDP1 (0.52) APLNRTDP1GAAMEN1KMT2A
SCHEMBL3252218 0.82 CA1 (0.43) APLNRTDP1GAAMEN1KMT2A
SCHEMBL4083189 0.80 APLNR (0.42) APLNRTDP1GAAMEN1KMT2A
SCHEMBL5301039 0.80 APLNR (0.42) APLNRTDP1GAAMEN1KMT2A
SCHEMBL46654 0.79 TDP1 (0.58) TDP1GAAMEN1KMT2ACA1
SCHEMBL1515679 0.78 APLNR (0.41) APLNRTDP1GAAMEN1KMT2A
SCHEMBL12581071 0.78 MEN1 (0.42) APLNRTDP1GAAMEN1KMT2A
SCHEMBL18756646 0.78 TDP1 (0.58) APLNRTDP1GAAMEN1KMT2A
SCHEMBL1620621 0.78 HDAC3 (0.46) APLNRTDP1GAAMEN1KMT2A

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-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 APLNR 4654/4885TDP1 734/4885GAA 770/4885

“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.