SCHEMBL14788609

SCHEMBL14788609

C#CC(=O)N(CC(N)=O)c1ccc(OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 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
SCHEMBL14786950 0.87 KEAP1 (0.39) L3MBTL1MEN1KMT2AKEAP1NFE2L2
SCHEMBL14788566 0.79 MEN1 (0.66) LMNAL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL22939500 0.78 LMNA (0.48) GAALMNAL3MBTL1MEN1KMT2A
SCHEMBL12696372 0.78 ATM (0.45) GAALMNAMEN1KMT2AHTT
SCHEMBL2590633 0.69 CA12 (0.48) GAALMNAL3MBTL1MEN1KMT2A
SCHEMBL1731363 0.66 GAA (0.53) GAALMNAL3MBTL1KEAP1NFE2L2
SCHEMBL11875228 0.66 ALDH1A1 (0.43) GAALMNAL3MBTL1MEN1KMT2A
SCHEMBL3456256 0.65 KMT2A (0.56) LMNAMEN1KMT2AHTTCA12
SCHEMBL11872172 0.65 KMT2A (0.47) GAALMNAL3MBTL1MEN1KMT2A
SCHEMBL20565896 0.65 NPC1 (0.58) GAALMNAMEN1KMT2AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 GAA 2437/4885LMNA 1318/4885L3MBTL1 2584/4885

“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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