SCHEMBL207627

SCHEMBL207627

O=c1c[c][nH]c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
FEN1 P39748 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GHSR Q92847 1/20 0.41
DAO P14920 2/20 0.40
MPO P05164 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL209219 0.85 DAO (0.48) KEAP1NFE2L2KDM4EALDH1A1HPGD
SCHEMBL208727 0.77 GAA (0.51) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL208744 0.77 LMNA (0.51) KDM4EALDH1A1HPGDLMNAGPR84
SCHEMBL208076 0.73 LOXL2 (0.37)
SCHEMBL207531 0.73 AHR (0.50) KDM4EALDH1A1HPGDLMNADAO
SCHEMBL223036 0.71 GAA (0.44) KDM4EALDH1A1HPGDLMNAFEN1
SCHEMBL668615 0.71 AHR (0.53) KEAP1NFE2L2KDM4EALDH1A1HPGD
SCHEMBL207019 0.70 KDM4E (0.41) KEAP1NFE2L2KDM4EALDH1A1HPGD
SCHEMBL4129339 0.68 KEAP1 (1.00) KEAP1NFE2L2KDM4EALDH1A1HPGD
SCHEMBL207104 0.67 AHR (0.48) KDM4EALDH1A1HPGDLMNADAO

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (6 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KEAP1 1988/4885NFE2L2 1216/4885KDM4E 3425/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 KEAP1 313/4885NFE2L2 363/4885KDM4E 2715/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KEAP1 1577/4885NFE2L2 937/4885KDM4E 3761/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KEAP1 1597/4885NFE2L2 814/4885KDM4E 3971/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KEAP1 1597/4885NFE2L2 814/4885KDM4E 3971/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KEAP1 1597/4885NFE2L2 814/4885KDM4E 3971/4885

“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.