SCHEMBL2942544

SCHEMBL2942544

CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.56
EHMT2 Q96KQ7 1/20 0.48
SMYD3 Q9H7B4 1/20 0.46
CYP51A1 Q16850 1/20 0.46
F2 P00734 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
SCHEMBL2941857 1.00 F10 (0.56) F10EHMT2SMYD3CYP51A1F2
SCHEMBL2944327 0.89 F10 (0.61) F10EHMT2
SCHEMBL2935606 0.89 F10 (0.61) F10EHMT2
SCHEMBL3109143 0.85 SMYD3 (0.52) F10EHMT2SMYD3F2
SCHEMBL3079242 0.85 SMYD3 (0.52) F10EHMT2SMYD3F2
SCHEMBL1503936 0.84 F10 (0.67) F10EHMT2SMYD3
SCHEMBL1504046 0.84 F10 (0.67) F10EHMT2SMYD3
SCHEMBL2938178 0.82 EHMT2 (0.51) F10EHMT2SMYD3F2
SCHEMBL2938180 0.82 EHMT2 (0.51) F10EHMT2SMYD3F2
SCHEMBL4261102 0.80 F10 (0.61) F10EHMT2SMYD3

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 F10 72/4885EHMT2 4179/4885SMYD3 3311/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R F10 196/4885EHMT2 4507/4885SMYD3 3513/4885

“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.