SCHEMBL741937

SCHEMBL741937

COC(=O)Cc1nc(N)sc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 8/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 4/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL31661356 0.87 HSD17B10 (0.49) HSD17B10HTTALDH1A1CYP1A2KDM4E
SCHEMBL3100377 0.85 ALDH1A1 (0.47) HSD17B10ALDH1A1CYP1A2KDM4EPKM
SCHEMBL2444986 0.85 ALDH1A1 (0.50) HSD17B10ALDH1A1CYP1A2KDM4EPKM
SCHEMBL1540028 0.83 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP1A2KDM4EPKM
SCHEMBL31661255 0.83 HSD17B10 (0.45) HSD17B10HTTALDH1A1CYP1A2KDM4E
SCHEMBL2444646 0.82 L3MBTL1 (0.46) HSD17B10ALDH1A1CYP1A2KDM4EPKM
SCHEMBL741624 0.82 GAA (0.40) HSD17B10HTTALDH1A1CYP1A2KDM4E
SCHEMBL750253 0.80 GAA (0.54) HSD17B10HTTALDH1A1CYP1A2HPGD
SCHEMBL8037522 0.80 HSD17B10 (0.51) HSD17B10HTTALDH1A1CYP1A2KDM4E
SCHEMBL2655605 0.79 HSD17B10 (0.50) HSD17B10HTTALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
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-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 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
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-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 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
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (7 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HSD17B10 3259/4885HTT 1467/4885ALDH1A1 2105/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HSD17B10 1377/4885HTT 2635/4885ALDH1A1 3319/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HSD17B10 1377/4885HTT 2635/4885ALDH1A1 3319/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HSD17B10 1377/4885HTT 2635/4885ALDH1A1 3319/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 HSD17B10 3742/4885HTT 4092/4885ALDH1A1 793/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HSD17B10 1326/4885HTT 2126/4885ALDH1A1 3734/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HSD17B10 3784/4885HTT 1833/4885ALDH1A1 2109/4885

“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.