SCHEMBL2651344

SCHEMBL2651344

CN(Cc1ccc(C(=O)NCc2noc(=O)[nH]2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ EPHX2 P34913 7/20 0.38
▸ NR1H4 Q96RI1 5/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PLA2G2A P14555 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL2655938 0.88 HDAC1 (0.46) LSSHDAC1HDAC3HDAC2NCOR2
SCHEMBL2651773 0.85 EPHX2 (0.41) HDAC3EPHX2NR1H4HDAC6MEN1
SCHEMBL2652198 0.82 LSS (0.38) LSSHDAC1EPHX2NR1H4HDAC6
SCHEMBL2651609 0.77 PLA2G2A (0.44) HDAC1HDAC3EPHX2NR1H4HDAC6
SCHEMBL2655940 0.75 PLA2G2A (0.42) HDAC1HDAC3EPHX2NR1H4HDAC6
SCHEMBL2644845 0.74 CA1 (0.53) HDAC3EPHX2NR1H4HDAC6MEN1
SCHEMBL2484830 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC6
Hydrochloric Acid SCHEMBL2644250 0.73 CA1 (0.52) HDAC3EPHX2NR1H4HDAC6MEN1
SCHEMBL28575351 0.73 CACNA1H (0.46) EPHX2CACNA1BCACNA1CL3MBTL1HTT
SCHEMBL25042862 0.71 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC6

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-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — 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-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LSS 2509/4885HDAC1 2196/4885HDAC3 1032/4885

“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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