SCHEMBL2654491

SCHEMBL2654491

O=C(O)CCNC(=O)c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)n2CCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
GCGR P47871 6/20 0.48
EHMT2 Q96KQ7 2/20 0.44
TP53 P04637 1/20 0.44
PTGER4 P35408 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
GLP1R P43220 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
BRD4 O60885 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL2652045 0.85 ENPP2 (0.51) NAMPTEHMT2TP53PTGER4CYP1A2
SCHEMBL7116449 0.85 GCGR (0.50) NAMPTGCGRMRGPRX1IDH1
SCHEMBL2652185 0.84 GCGR (0.60) NAMPTGCGRCYP3A4CYP2C9
SCHEMBL2653215 0.83 PTGER4 (0.46) EHMT2TP53PTGER4CYP1A2CYP3A4
SCHEMBL2652327 0.81 PTGER4 (0.49) GCGRPTGER4CYP3A4CYP2C9BRD4
SCHEMBL9251618 0.81 JAK2 (0.51) EHMT2TP53PTGER4JAK2JAK1
Bromide SCHEMBL9248810 0.80 JAK2 (0.50) EHMT2TP53PTGER4JAK2JAK1
SCHEMBL2659921 0.80 EHMT2 (0.51) GCGREHMT2TP53PTGER4JAK2
SCHEMBL9253344 0.78 JAK2 (0.52) EHMT2TP53PTGER4JAK2JAK1
SCHEMBL2653126 0.78 HDAC1 (0.61) EHMT2TP53CYP1A2CYP2D6CYP2C9

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 3 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
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 NAMPT 1290/4885GCGR 2/4885EHMT2 4537/4885

“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.