SCHEMBL2652198

SCHEMBL2652198

[2H]NC(=O)N(C)Cc1ccc(C(=O)NCc2noc(=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.38
▸ PLA2G2A P14555 8/20 0.36
▸ HSP90AA1 P07900 3/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ MLLT3 P42568 1/20 0.34
▸ MLLT1 Q03111 1/20 0.34

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
SCHEMBL2651344 0.82 LSS (0.39) LSSPLA2G2AHDAC4HTTHDAC1
SCHEMBL2655940 0.79 PLA2G2A (0.42) PLA2G2AHDAC1HDAC6EPHX2NR1H4
SCHEMBL2651609 0.79 PLA2G2A (0.44) PLA2G2AHDAC1HDAC6EPHX2NR1H4
SCHEMBL2655938 0.74 HDAC1 (0.46) LSSPLA2G2AHTTHDAC1HDAC6
SCHEMBL13800570 0.73 CA1 (0.50) HSP90AA1HDAC1HDAC6CA2TMEM97
SCHEMBL2644845 0.72 CA1 (0.53) HDAC6CA2EPHX2NR1H4
SCHEMBL2651773 0.71 EPHX2 (0.41) HDAC6EPHX2NR1H4
Hydrochloric Acid SCHEMBL2644250 0.71 CA1 (0.52) HDAC6CA2EPHX2NR1H4
SCHEMBL13800527 0.69 ALDH1A1 (0.47) HSP90AA1ALDH1A1HDAC1HDAC6
SCHEMBL13800529 0.68 GCGR (0.46) —

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 2509/4885PLA2G2A 1428/4885HSP90AA1 1261/4885

“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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