SCHEMBL14837869

SCHEMBL14837869

CCOC(C/N=C/c1cccc(OCC(F)(F)F)c1OCOC)OCC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
BCHE P06276 1/20 0.33
PTPN1 P18031 1/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL14837874 1.00 KDM4E (0.35) KDM4EMAPTPIM1PIM2BCHE
SCHEMBL14958112 0.77 MAPT (0.47) KDM4EMAPTBCHECA12
SCHEMBL14958113 0.77 MAPT (0.47) KDM4EMAPTBCHECA12
SCHEMBL14835744 0.77 PIM1 (0.43) PIM1PIM2PTPN1CA2SCN9A
SCHEMBL16510130 0.77 PIM1 (0.40) KDM4EMAPTPIM1PIM2PTPN1
SCHEMBL14835407 0.73 BCHE (0.38) BCHE
SCHEMBL14834911 0.71 KDM4E (0.52) KDM4EMAPTCA12
SCHEMBL14834915 0.71 KDM4E (0.52) KDM4EMAPTCA12
SCHEMBL10030738 0.70 L3MBTL1 (0.41) KDM4EMAPTPTPN1SCN9A
SCHEMBL16955079 0.69 GSK3A (0.36) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
EP-2576514-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT SA (FR) 2013-04-10 EP disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 WO disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 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-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB, TUBB1 KDM4E 3218/4885MAPT 29/4885PIM1 1765/4885

“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.