SCHEMBL2938100

SCHEMBL2938100

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.49
PYGM P11217 7/20 0.49
HRH4 Q9H3N8 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
IDO1 P14902 4/20 0.43

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
SCHEMBL2938180 0.86 EHMT2 (0.51) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL2938178 0.86 EHMT2 (0.51) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL2939104 0.83 PYGL (0.47) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL1504146 0.82 PYGL (0.55) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL12035640 0.81 PYGL (0.56) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL1503747 0.81 SMYD3 (0.58) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL1503749 0.81 SMYD3 (0.58) PYGLPYGMHRH4SMYD3EHMT2
SCHEMBL3079242 0.79 SMYD3 (0.52) PYGLSMYD3EHMT2
SCHEMBL3109143 0.79 SMYD3 (0.52) PYGLSMYD3EHMT2
SCHEMBL4262462 0.78 PYGL (0.51) PYGLPYGMHRH4SMYD3EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R PYGL 4049/4885PYGM 4173/4885HRH4 53/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PYGL 3803/4885PYGM 4064/4885HRH4 128/4885

“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.