SCHEMBL1504558

SCHEMBL1504558

CCOC(=O)c1nc(Cl)c(C=O)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 7/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 2/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3662167 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL1704595 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL3123038 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL12035806 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL13618989 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL27640716 0.74 MEN1 (0.44) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL25407831 0.73 ALOX15 (0.47) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL23291972 0.72 ALDH1A1 (0.47) ALDH1A1CYP1A2MAPTKMT2AMEN1
SCHEMBL2560663 0.70 FHIT (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1503828 0.70 HPGD (0.37) ALDH1A1CYP1A2MAPTTRPM8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149997-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO 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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
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 disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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
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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ALDH1A1 4310/4885CYP1A2 3302/4885MAPT 4390/4885
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 ALDH1A1 3430/4885CYP1A2 3257/4885MAPT 4451/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885CYP1A2 2631/4885MAPT 4271/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885CYP1A2 2631/4885MAPT 4271/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885CYP1A2 2631/4885MAPT 4271/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ALDH1A1 793/4885CYP1A2 2267/4885MAPT 4302/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885CYP1A2 2535/4885MAPT 4230/4885

“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.