SCHEMBL741624

SCHEMBL741624

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2825372 0.83 KMT2A (0.47) HSD17B10KMT2AMAPTTSHRMEN1
SCHEMBL741937 0.82 HSD17B10 (0.49) GAAHSD17B10HTTKMT2AMAPT
SCHEMBL820906 0.79 GAA (0.55) GAAHSD17B10HTTMAPTTSHR
SCHEMBL8035635 0.78 GAA (0.40) GAAHSD17B10HTTMAPTTSHR
SCHEMBL29787276 0.78 KMT2A (0.43) HSD17B10KMT2AMAPTTSHRMEN1
SCHEMBL30740576 0.78 ALDH1A1 (0.47) GAAHSD17B10KMT2AMAPTTSHR
SCHEMBL622999 0.74 HSD17B10 (0.47) GAAHSD17B10HTTKMT2AMAPT
SCHEMBL560326 0.73 RAB9A (0.51) GAAHSD17B10KMT2AMAPTTSHR
SCHEMBL8149166 0.72 TRPM8 (0.45) GAAHSD17B10KMT2AMAPTTSHR
SCHEMBL11813039 0.71 GAA (0.34) GAAHSD17B10HTTKMT2AMAPT

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 48 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-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
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US 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-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 GAA 4312/4885HSD17B10 3259/4885HTT 1467/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GAA 4788/4885HSD17B10 1377/4885HTT 2635/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GAA 4788/4885HSD17B10 1377/4885HTT 2635/4885
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 GAA 351/4885HSD17B10 1793/4885HTT 3856/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GAA 4788/4885HSD17B10 1377/4885HTT 2635/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GAA 4829/4885HSD17B10 1326/4885HTT 2126/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 GAA 4278/4885HSD17B10 3784/4885HTT 1833/4885

“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.