SCHEMBL13043331

SCHEMBL13043331

CC1=NC(=O)CCCN1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
INMT O95050 2/20 0.38
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
PSMD14 O00487 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13043333 0.94 BRD4 (0.41) BRD4BRD2INMTKMT2AMAPT
SCHEMBL13043332 0.86
SCHEMBL24131867 0.77 BRD4 (0.46) BRD4BRD2INMTKMT2AMAPT
SCHEMBL818956 0.72
SCHEMBL24131987 0.71 BRD4 (0.40) BRD4BRD2INMTKMT2AALDH1A1
SCHEMBL24131991 0.71 BRD4 (0.45) BRD4BRD2INMT
SCHEMBL28332039 0.70
Methylpyrrolidone SCHEMBL1255511 0.66 BRD4 (1.00) BRD4BRD2INMTKMT2AMAPT
Methylpyrrolidone SCHEMBL5423326 0.66
Methylpyrrolidone SCHEMBL487 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450070-B2 Method for screening of cell-protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-8450070-B2 Method for screening of cell-protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
US-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
WO-2009084653-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-09 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-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT HSF1, HSP90AB1, HSP90AA1 BRD4 1602/4885BRD2 1637/4885INMT 3646/4885

“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.