SCHEMBL3101017

SCHEMBL3101017

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.49
F10 P00742 14/20 0.46
PYGL P06737 3/20 0.45
EHMT2 Q96KQ7 1/20 0.45
F2 P00734 1/20 0.44
PLAT P00750 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
SCHEMBL6361621 0.90 F10 (0.57) SMYD3F10PYGLF2PLAT
SCHEMBL2939776 0.86 F10 (0.52) SMYD3F10PYGLEHMT2
SCHEMBL2941234 0.86 F10 (0.52) SMYD3F10PYGLEHMT2
SCHEMBL3109143 0.85 SMYD3 (0.52) SMYD3F10PYGLEHMT2F2
SCHEMBL3079242 0.85 SMYD3 (0.52) SMYD3F10PYGLEHMT2F2
SCHEMBL2938409 0.84 EHMT2 (0.49) SMYD3F10PYGLEHMT2
SCHEMBL6362844 0.83 F10 (0.55) SMYD3F10PYGLEHMT2
SCHEMBL12035389 0.82 SMYD3 (0.57) SMYD3F10PYGLEHMT2F2
SCHEMBL4358806 0.82 SMYD3 (0.57) SMYD3F10PYGLF2PLAT
SCHEMBL4358801 0.82 SMYD3 (0.57) SMYD3F10PYGLF2PLAT

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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

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

For each of this compound's patents that has machine-readable text (3 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-20050245565-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885F10 196/4885PYGL 3803/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3311/4885F10 72/4885PYGL 4049/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885F10 196/4885PYGL 3803/4885

“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.