SCHEMBL14937940

SCHEMBL14937940

CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.52
▸ MAPT P10636 6/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ POLB P06746 4/20 0.51
▸ RECQL P46063 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ APEX1 P27695 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ DNMT1 P26358 2/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ HBB P68871 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.51
▸ USP2 O75604 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX12 P18054 2/20 0.48

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 0.73 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14937625 0.72 MEN1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14937624 0.72 MEN1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14694502 0.71 L3MBTL1 (0.35) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL12176977 0.70 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL23009248 0.69 KDM4E (0.63) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL14937623 0.69 GAA (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11791001 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL2115613 0.68 MAPT (1.00) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL13931148 0.68 HTT (0.39) ALDH1A1MEN1KMT2AL3MBTL1PKM

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 ALDH1A1 1467/4885MAPT 2222/4885KDM4E 3079/4885

“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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