SCHEMBL1853252

SCHEMBL1853252

N[C@H]1C[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.70
EHMT2 Q96KQ7 1/20 0.57
PYGL P06737 8/20 0.56
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PYGM P11217 6/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
F10 P00742 2/20 0.53
NHERF1 O14745 2/20 0.52

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
SCHEMBL1853251 1.00 SMYD3 (0.70) SMYD3EHMT2PYGLF7F3
SCHEMBL12670025 0.92 SMYD3 (0.63) SMYD3EHMT2PYGLF7F3
SCHEMBL15044999 0.90 SMYD3 (0.70) SMYD3EHMT2PYGLF7F3
SCHEMBL1855761 0.90 SMYD3 (0.70) SMYD3EHMT2PYGLF7F3
SCHEMBL1855759 0.90 SMYD3 (0.70) SMYD3EHMT2PYGLF7F3
SCHEMBL2942221 0.90 EHMT2 (0.61) SMYD3EHMT2PYGLPYGMHRH4
SCHEMBL2942220 0.90 EHMT2 (0.61) SMYD3EHMT2PYGLPYGMHRH4
SCHEMBL11960194 0.90 EHMT2 (0.61) SMYD3EHMT2PYGLPYGMHRH4
SCHEMBL10476714 0.90 EHMT2 (0.61) SMYD3EHMT2PYGLPYGMHRH4
SCHEMBL12101101 0.89 SMYD3 (0.59) SMYD3EHMT2PYGLF10NHERF1

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 38 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
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 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-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
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 (9 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SMYD3 4107/4885EHMT2 4292/4885PYGL 1260/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 SMYD3 995/4885EHMT2 833/4885PYGL 3056/4885
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 SMYD3 3410/4885EHMT2 4646/4885PYGL 4129/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885EHMT2 4507/4885PYGL 3803/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885EHMT2 4507/4885PYGL 3803/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885EHMT2 4507/4885PYGL 3803/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SMYD3 2701/4885EHMT2 2085/4885PYGL 1509/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMYD3 3337/4885EHMT2 4458/4885PYGL 3866/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMYD3 1262/4885EHMT2 495/4885PYGL 2722/4885

“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.