SCHEMBL14937879

SCHEMBL14937879

CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ APAF1 O14727 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ USP2 O75604 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ ELANE P08246 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ CTSG P08311 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ CTRC Q99895 1/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL14937940 0.79 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL13692648 0.77 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL14694502 0.75 L3MBTL1 (0.35) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL13931148 0.75 HTT (0.39) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL14937623 0.73 GAA (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14159354 0.73 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL5448612 0.72 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL20642134 0.71 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL11203857 0.71 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL4897150 0.70 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPTAPAF1

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 KMT2A 2648/4885MEN1 1037/4885ALDH1A1 1467/4885

“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.

Send feedback