SCHEMBL4262462

SCHEMBL4262462

CN1CC(NC(=O)OC(C)(C)C)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.51
PYGM P11217 7/20 0.51
EHMT2 Q96KQ7 1/20 0.50
F10 P00742 7/20 0.49
HRH4 Q9H3N8 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL4262455 1.00 PYGL (0.51) PYGLPYGMEHMT2F10HRH4
SCHEMBL3312851 0.88 EHMT2 (0.55) PYGLPYGMEHMT2F10HRH4
SCHEMBL3312847 0.88 EHMT2 (0.55) PYGLPYGMEHMT2F10HRH4
SCHEMBL1504146 0.88 PYGL (0.55) PYGLPYGMEHMT2F10HRH4
SCHEMBL12035640 0.83 PYGL (0.56) PYGLPYGMEHMT2F10HRH4
SCHEMBL2939103 0.83 SMYD3 (0.47) PYGLPYGMEHMT2F10HRH4
SCHEMBL4266511 0.83 SMYD3 (0.47) PYGLPYGMEHMT2F10HRH4
SCHEMBL4095868 0.82 SMYD3 (0.54) PYGLEHMT2F10SMYD3F2
SCHEMBL4083426 0.82 SMYD3 (0.54) PYGLEHMT2F10SMYD3F2
SCHEMBL3335058 0.82 SMYD3 (0.54) PYGLEHMT2F10SMYD3F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PYGL 4129/4885PYGM 4331/4885EHMT2 4646/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 PYGL 3554/4885PYGM 3560/4885EHMT2 4698/4885

“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.