SCHEMBL15417877

SCHEMBL15417877

COC(=O)c1cc(I)c2c(Br)n[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAP2K4 P45985 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13132281 0.83 MAP2K4 (0.43) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL13132306 0.83 MAP2K4 (0.43) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL15568575 0.74 MAP2K4 (0.43) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL348514 0.74 MAP2K4 (0.54) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL15567237 0.72 PSMD14 (0.44) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL24045192 0.71 MAP2K4 (0.38) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL2730016 0.71 TDO2 (0.50) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL9985941 0.71 KDM4E (0.54) KDM4EALDH1A1MAP2K4CA12CA1
SCHEMBL5223931 0.69 KDM4E (0.65) KDM4EALDH1A1CA12CA1CA2
SCHEMBL30424394 0.68 KDM4E (0.48) KDM4EALDH1A1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
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-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-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
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
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
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 (4 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 KDM4E 1787/4885ALDH1A1 2704/4885MAP2K4 1237/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 KDM4E 1787/4885ALDH1A1 2704/4885MAP2K4 1237/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE KDM4E 1425/4885ALDH1A1 2192/4885MAP2K4 1359/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 KDM4E 1787/4885ALDH1A1 2704/4885MAP2K4 1237/4885

“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.