SCHEMBL15465348

SCHEMBL15465348

O=[N+]([O-])c1nn(C2CCCCO2)cc1C1CCCCC1O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.32
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL15465350 1.00 SLC18A3 (0.32) SLC18A3ABL1MEN1KMT2A
SCHEMBL15465141 0.99 SLC18A3 (0.31) SLC18A3ABL1MEN1KMT2A
SCHEMBL15465140 0.99 SLC18A3 (0.31) SLC18A3ABL1MEN1KMT2A
SCHEMBL9912468 0.80 CYP1A2 (0.35) ABL1MEN1KMT2A
SCHEMBL319862 0.78 ALDH1A1 (0.37) ABL1KMT2A
SCHEMBL1690922 0.75 ABL1 (0.30) ABL1
SCHEMBL9912461 0.75 CYP1A2 (0.35) KMT2A
SCHEMBL17610374 0.73 ATR (0.35) ABL1MEN1KMT2A
SCHEMBL9912458 0.71 LMNA (0.38) MEN1KMT2A
SCHEMBL15464452 0.70

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-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 US disclosed
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 EP disclosed
US-20170001984-A1 CYCLOALKANE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-05 US disclosed
US-9493448-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-11-15 US disclosed
EP-2813491-B1 CYCLOALKANE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-02 EP disclosed
EP-2813491-A1 CYCLOALKANE DERIVATIVE Daiichi Sankyo Co., Ltd. (JP) 2014-12-17 EP disclosed
US-8889741-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-11-18 US disclosed
US-20140045862-A1 Cycloalkane Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-13 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 (2 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-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A SLC18A3 616/4885ABL1 3570/4885MEN1 3769/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A SLC18A3 616/4885ABL1 3570/4885MEN1 3769/4885

“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.