SCHEMBL14937623

SCHEMBL14937623

CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ EP300 Q09472 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13692648 0.81 SMN1; SMN2 (0.39) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL14694502 0.80 L3MBTL1 (0.35) GAAALDH1A1MAPTMEN1THRB
SCHEMBL2584448 0.78 KDM4E (0.35) GAAALDH1A1MAPTKDM4ETHRB
SCHEMBL14159354 0.77 MEN1 (0.41) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL13931148 0.76 HTT (0.39) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3875987 0.76 KDM4E (0.44) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL10586756 0.75 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1
SCHEMBL10584563 0.73 L3MBTL1 (0.32) L3MBTL1
SCHEMBL14937879 0.73 KMT2A (0.51) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL2594812 0.73 KMT2A (0.40) GAAALDH1A1MAPTKDM4EMEN1

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
EP-2594558-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH Neochem Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH NEOCHEM CO., LTD. (JP) 2013-05-16 — — 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 (1 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-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME TRPA1, KCNH3, HCN3 GAA 4386/4885ALDH1A1 1467/4885MAPT 2222/4885

“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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