SCHEMBL1504084

SCHEMBL1504084

COc1cc(NC(=O)C(=O)O)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HTT P42858 2/20 0.54
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAOB P27338 3/20 0.52
ALDH1A1 P00352 3/20 0.51
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
MAOA P21397 1/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GPR35 Q9HC97 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1504233 0.87 GRM4 (0.58) GRM4HDAC6HTTMAPTMEN1
SCHEMBL6493991 0.86 GRM4 (0.57) GRM4HDAC6HTTMAPTMEN1
SCHEMBL9833799 0.83 GRM4 (0.61) GRM4HDAC6HTTMAPTMEN1
SCHEMBL9730182 0.83 GRM4 (0.61) GRM4HDAC6HTTMAPTMEN1
SCHEMBL27413036 0.82 GRM4 (0.59) GRM4HDAC6HTTMAPTMEN1
Oxalic Acid SCHEMBL28374158 0.81 MAPT (0.54) GRM4HDAC6HTTMAPTMEN1
SCHEMBL20984381 0.80 GRM4 (0.54) GRM4HDAC6HTTMAPTMEN1
SCHEMBL344338 0.79 GRM4 (0.57) GRM4HDAC6MAPTMEN1KMT2A
SCHEMBL9731379 0.79 CYP3A4 (0.69) GRM4HDAC6HTTMEN1KMT2A
SCHEMBL5796044 0.79 GRM4 (0.57) GRM4HDAC6MAPTMEN1KMT2A

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 45 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
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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US 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-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
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
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 GRM4 2081/4885HDAC6 2054/4885HTT 2458/4885
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 GRM4 3213/4885HDAC6 2286/4885HTT 3634/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GRM4 3383/4885HDAC6 2222/4885HTT 2635/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GRM4 3383/4885HDAC6 2222/4885HTT 2635/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GRM4 3383/4885HDAC6 2222/4885HTT 2635/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GRM4 2245/4885HDAC6 1359/4885HTT 4092/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GRM4 3375/4885HDAC6 2465/4885HTT 2126/4885

“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.