SCHEMBL14937740

SCHEMBL14937740

CC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ F2 P00734 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CTSG P08311 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47
▸ MGLL Q99685 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL20642135 0.75 ALDH1A1 (0.33) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5447636 0.74 ELANE (0.71) GAAMEN1KMT2ATLR9MAPT
SCHEMBL10262918 0.73 MAPT (0.66) GAAMEN1KMT2ATLR9MAPT
SCHEMBL2983688 0.71 GAA (0.57) GAAMEN1KMT2ATLR9MAPT
SCHEMBL14714137 0.71 L3MBTL1 (0.37) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5443754 0.69 ELANE (0.57) GAAMEN1KMT2ATLR9MAPT
SCHEMBL17358738 0.68 CTSG (0.61) GAAMEN1KMT2ATLR9MAPT
SCHEMBL15782056 0.67 ALOX15 (0.32) GAAMEN1KMT2A
SCHEMBL13692648 0.67 SMN1; SMN2 (0.39) GAAMEN1KMT2AMAPTF2
SCHEMBL11867038 0.67 GAA (1.00) GAAMEN1KMT2ATLR9MAPT

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 4386/4885MEN1 1037/4885KMT2A 2648/4885

“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