SCHEMBL208050

SCHEMBL208050

O=Cc1[c][nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
FEN1 P39748 1/20 0.36
PTPN1 P18031 1/20 0.35
DAO P14920 1/20 0.34
MPO P05164 2/20 0.34
KIF11 P52732 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CAPN1 P07384 1/20 0.34
CAPN2 P17655 1/20 0.34
METAP2 P50579 1/20 0.33

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
SCHEMBL206301 0.79 PIM1 (0.42) ALDH1A1GPR84PTPN1LMNAHPGD
SCHEMBL28971569 0.72 GPR84 (0.39) KDM4EALDH1A1GLAGAAHTT
SCHEMBL206305 0.72 KDM4E (0.39) KDM4EALDH1A1GLAGAAHTT
SCHEMBL699788 0.72 KIF11 (0.44) KDM4EALDH1A1GLAGAAHTT
SCHEMBL206827 0.72 GPR84 (0.39) KDM4EALDH1A1GLAGAAHTT
SCHEMBL28971519 0.68 GPR84 (0.36) KDM4EALDH1A1GLAGAAHTT
SCHEMBL207627 0.67 KEAP1 (0.51) KDM4EALDH1A1GLAGAAHTT
SCHEMBL207030 0.66 HTT (0.39) KDM4EHTTKEAP1NFE2L2FEN1
SCHEMBL208051 0.66 CAPN1 (0.59) KDM4EALDH1A1GPR84MPOTSHR
SCHEMBL18029477 0.66 KIF11 (0.66) KDM4EALDH1A1GLAGAAHTT

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 51 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-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577301-A1 DIAMINE 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 KDM4E 3425/4885ALDH1A1 4310/4885GLA 4699/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 KDM4E 2715/4885ALDH1A1 1780/4885GLA 2765/4885
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 KDM4E 3761/4885ALDH1A1 3430/4885GLA 4152/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885ALDH1A1 3319/4885GLA 4713/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885ALDH1A1 3319/4885GLA 4713/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885ALDH1A1 3319/4885GLA 4713/4885

“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.