SCHEMBL13043333

SCHEMBL13043333

C/C1=N/C(=O)CCCCN1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
INMT O95050 2/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.30
PSMD14 O00487 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13043331 0.94 BRD4 (0.48) BRD4BRD2KMT2AALDH1A1INMT
SCHEMBL13043332 0.85
SCHEMBL24131987 0.78 BRD4 (0.40) BRD4BRD2KMT2AALDH1A1KDM4E
SCHEMBL24131867 0.71 BRD4 (0.46) BRD4BRD2KMT2AALDH1A1INMT
SCHEMBL818956 0.70
SCHEMBL28332039 0.69
SCHEMBL120927 0.67
SCHEMBL6886758 0.66 BRD4 (0.80) BRD4BRD2KMT2AALDH1A1INMT
SCHEMBL54926 0.66
SCHEMBL1626056 0.66 BRD4 (0.80) BRD4BRD2KMT2AALDH1A1INMT

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 1637/4885KMT2A 2919/4885

“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.