SCHEMBL2651574

SCHEMBL2651574

CN(C)c1ccc(Cc2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CNR2 P34972 11/20 0.49
CNR1 P21554 5/20 0.49
BCHE P06276 7/20 0.48
ACHE P22303 2/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
PLK1 P53350 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
EHMT1 Q9H9B1 1/20 0.45

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
SCHEMBL2652410 0.87 HDAC1 (0.52) HDAC1HDAC8CNR2CNR1BCHE
SCHEMBL2653126 0.86 HDAC1 (0.61) HDAC1HDAC8PLK1EHMT2EHMT1
SCHEMBL2665472 0.84 HDAC1 (0.51) HDAC1HDAC8CNR2CNR1BCHE
SCHEMBL2653215 0.83 PTGER4 (0.46) HDAC1HDAC8JAK2JAK1TYK2
SCHEMBL2650851 0.82 HDAC1 (0.50) HDAC1HDAC8JAK2JAK1TYK2
SCHEMBL2652187 0.80 HDAC1 (0.54) HDAC1HDAC8PLK1EHMT2
SCHEMBL2651153 0.79 HDAC1 (0.52) HDAC1HDAC8PLK1EHMT2EHMT1
SCHEMBL9070767 0.78 HDAC1 (0.50) HDAC1HDAC8PLK1EHMT2EHMT1
SCHEMBL2651954 0.78 EHMT2 (0.47) HDAC1HDAC8PLK1EHMT2EHMT1
SCHEMBL9070781 0.77 HDAC1 (0.54) HDAC1HDAC8JAK2JAK1TYK2

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
US-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-13 US disclosed
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 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 (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-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists GLP1R, GCGR, GIPR HDAC1 3760/4885HDAC8 2464/4885CNR2 373/4885

“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.