SCHEMBL15465713

SCHEMBL15465713

Nc1cc(C2=CCCCC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 3/20 0.43
LNPEP Q9UIQ6 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 3/20 0.40
PSMB5 P28074 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDR P35968 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
CDC7 O00311 2/20 0.38
FFAR2 O15552 1/20 0.38
DBF4 Q9UBU7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NOS3 P29474 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
SCHEMBL15464531 0.95 HDAC1 (0.42) HDAC1HDAC2HDAC3LNPEPACMSD
SCHEMBL27572022 0.79 ACMSD (0.42) HDAC1HDAC2HDAC3LNPEPACMSD
SCHEMBL16188025 0.79 PSMB5 (0.46) LNPEPACMSDTDP1DYRK1APSMB5
SCHEMBL24572384 0.76 ACMSD (0.56) HDAC1HDAC2HDAC3LNPEPACMSD
SCHEMBL22920105 0.76 LNPEP (0.51) HDAC1HDAC2HDAC3LNPEPACMSD
SCHEMBL2173463 0.75 KDR (0.51) HDAC1HDAC2HDAC3LNPEPACMSD
SCHEMBL12247662 0.74 DYRK1A (0.42) LNPEPACMSDTDP1DYRK1APSMB5
SCHEMBL21988028 0.74 CSF1R (0.44) HDAC1HDAC2HDAC3ACMSDTDP1
SCHEMBL2379783 0.74 ACMSD (0.41) LNPEPACMSDTDP1PSMB5KDR
SCHEMBL26984327 0.74 ACMSD (0.47) HDAC1HDAC2HDAC3LNPEPACMSD

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 HDAC1 1678/4885HDAC2 1531/4885HDAC3 1207/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A HDAC1 1678/4885HDAC2 1531/4885HDAC3 1207/4885

“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.