SCHEMBL12523940

SCHEMBL12523940

COC(=O)NCCCn1nc(C(C)=O)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PLK1 P53350 2/20 0.37
CFD P00746 2/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
RBP4 P02753 1/20 0.35
QPCT Q16769 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL15418081 0.89 KDM4E (0.39) BRD4KDM4EHSD17B10PLK1HDAC6
SCHEMBL16471696 0.87 HDAC6 (0.37) BRD4PLK1HDAC6HDAC3HDAC4
SCHEMBL12523936 0.85 BRD4 (0.38) BRD4KDM4EHSD17B10PLK1HDAC6
SCHEMBL16471694 0.77 REN (0.41) BRD4PLK1RBP4QPCT
SCHEMBL18556910 0.77 PLK1 (0.45) PLK1QPCT
SCHEMBL12525868 0.76 REN (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL17766859 0.76 KDM4C (0.40) RBP4MEN1KMT2A
SCHEMBL20646873 0.76 KDM4C (0.45) PLK1CFDRBP4
SCHEMBL20646929 0.74 HTR3A (0.43) RBP4MEN1KMT2A
SCHEMBL12526601 0.74 REN (0.48) CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 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 (3 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 BRD4 435/4885KDM4E 1787/4885HSD17B10 1304/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE BRD4 358/4885KDM4E 1425/4885HSD17B10 715/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 BRD4 435/4885KDM4E 1787/4885HSD17B10 1304/4885

“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.