SCHEMBL1503747

SCHEMBL1503747

CN1C[C@@H](N)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.58
PYGL P06737 9/20 0.56
PYGM P11217 7/20 0.56
HRH4 Q9H3N8 4/20 0.53
EHMT2 Q96KQ7 1/20 0.52
HRH3 Q9Y5N1 3/20 0.50
IDO1 P14902 3/20 0.48
F10 P00742 1/20 0.48
HRH1 P35367 1/20 0.47

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
SCHEMBL1503749 1.00 SMYD3 (0.58) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL12035640 0.88 PYGL (0.56) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL1504146 0.86 PYGL (0.55) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL13387098 0.84 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL12833617 0.83 SMYD3 (0.56) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL12035636 0.81 SMYD3 (0.52) SMYD3PYGLPYGMEHMT2F10
SCHEMBL3310418 0.81 SMYD3 (0.52) SMYD3PYGLPYGMEHMT2F10
SCHEMBL4262462 0.81 PYGL (0.51) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL2938100 0.81 PYGL (0.49) SMYD3PYGLPYGMHRH4EHMT2
SCHEMBL4262455 0.81 PYGL (0.51) SMYD3PYGLPYGMHRH4EHMT2

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 40 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-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-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
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-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-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 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
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-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 SMYD3 3410/4885PYGL 4129/4885PYGM 4331/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885PYGM 4064/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885PYGM 4064/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885PYGM 4064/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885PYGM 4064/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SMYD3 2701/4885PYGL 1509/4885PYGM 4078/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMYD3 3337/4885PYGL 3866/4885PYGM 4121/4885

“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.