SCHEMBL1503788

SCHEMBL1503788

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.54
▸ PYGL P06737 11/20 0.49
▸ PYGM P11217 9/20 0.49
▸ F7 P08709 1/20 0.49
▸ F3 P13726 1/20 0.49
▸ F10 P00742 1/20 0.48
▸ EHMT2 Q96KQ7 1/20 0.48
▸ NHERF1 O14745 2/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL4266511 0.86 SMYD3 (0.47) SMYD3PYGLPYGMF10EHMT2
SCHEMBL2939103 0.86 SMYD3 (0.47) SMYD3PYGLPYGMF10EHMT2
SCHEMBL12035628 0.86 SMYD3 (0.55) SMYD3PYGLPYGMF7F3
SCHEMBL12833090 0.86 SMYD3 (0.60) SMYD3PYGLPYGMF7F3
SCHEMBL1503949 0.84 PYGL (0.53) SMYD3PYGLPYGMF7F3
SCHEMBL2936241 0.84 PYGL (0.53) SMYD3PYGLPYGMF7F3
SCHEMBL1503952 0.84 PYGL (0.53) SMYD3PYGLPYGMF7F3
SCHEMBL2939104 0.80 PYGL (0.47) SMYD3PYGLPYGMEHMT2HRH4
SCHEMBL4363306 0.79 SMYD3 (0.63) SMYD3PYGLF7F3F10
SCHEMBL4360291 0.79 SMYD3 (0.63) SMYD3PYGLF7F3F10

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 13 patents. 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-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
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-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — 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-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — 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 (6 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 SMYD3 2701/4885PYGL 1509/4885PYGM 4078/4885
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-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.

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