SCHEMBL2644845

SCHEMBL2644845

CC(C)(C)c1ccc(NCc2ccc(C(=O)NCc3noc(=O)[nH]3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ EPHX2 P34913 15/20 0.52
▸ NR1H4 Q96RI1 14/20 0.52
▸ HDAC3 O15379 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
Hydrochloric Acid SCHEMBL2644250 0.99 CA1 (0.52) CA1CA2EPHX2NR1H4HDAC3
SCHEMBL2651609 0.82 PLA2G2A (0.44) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2655940 0.80 PLA2G2A (0.42) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2651773 0.78 EPHX2 (0.41) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2651633 0.75 GCGR (0.66) EPHX2NR1H4
SCHEMBL2651344 0.74 LSS (0.39) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2655938 0.73 HDAC1 (0.46) EPHX2NR1H4HDAC3HDAC6MEN1
SCHEMBL2653593 0.72 NR1H4 (0.64) CA1CA2EPHX2NR1H4HDAC3
SCHEMBL8461643 0.72 CA1 (0.74) CA1CA2EPHX2NR1H4HDAC3
SCHEMBL2652198 0.72 LSS (0.38) CA2EPHX2NR1H4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 — — US disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 — — US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 — — WO 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 (2 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4635/4885CA2 3400/4885EPHX2 2953/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4635/4885CA2 3400/4885EPHX2 2953/4885

“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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