SCHEMBL2651098

SCHEMBL2651098

COc1cc(OC)cc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GCGR P47871 9/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GIPR P48546 4/20 0.42
ENPP2 Q13822 1/20 0.42
VIPR2 P41587 1/20 0.42
GLP1R P43220 1/20 0.42
SUV39H1 O43463 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PRMT1 Q99873 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL2652504 0.88 KDM4E (0.43) KDM4ETDP1GCGRGIPRPPARG
SCHEMBL2652219 0.87 GCGR (0.50) GCGRCYP1A2GIPRENPP2VIPR2
SCHEMBL2653039 0.86 MRGPRX1 (0.51) GCGRPPARG
SCHEMBL2651576 0.86 EGLN1 (0.48) GCGRPPARG
SCHEMBL2651903 0.81 HDAC1 (0.41) KDM4ETDP1GCGRGIPR
SCHEMBL7116449 0.81 GCGR (0.50) GCGRGIPRPPARG
SCHEMBL7113992 0.80 SMN1; SMN2 (0.43) GCGRALDH1A1HPGDPPARG
SCHEMBL2651501 0.80 GCGR (0.43) KDM4EGCGRALDH1A1PPARG
SCHEMBL2655061 0.79 PTGDR2 (0.46) KDM4EALDH1A1PPARG
SCHEMBL2652045 0.79 ENPP2 (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2D6

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 KDM4E 3680/4885TDP1 4805/4885GCGR 2/4885

“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.