SCHEMBL13618932

SCHEMBL13618932

CCOC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BTK Q06187 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM1A O60341 2/20 0.32
▸ CTSL P07711 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ EPHX1 P07099 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
SCHEMBL13618996 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL29385715 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL13618931 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL16071863 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL19009054 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
Cadaverine Tartrate SCHEMBL28688239 0.93 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL19783843 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13618972 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13748220 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL16668084 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 — — 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 (5 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KMT2A 2546/4885ALDH1A1 3214/4885MEN1 322/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3485/4885ALDH1A1 3319/4885MEN1 457/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KMT2A 1453/4885ALDH1A1 793/4885MEN1 1094/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KMT2A 3461/4885ALDH1A1 3734/4885MEN1 602/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 KMT2A 1593/4885ALDH1A1 2105/4885MEN1 208/4885

“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.

Send feedback