SCHEMBL2651903

SCHEMBL2651903

CCCCN(CCCC)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GCGR P47871 15/20 0.40
GIPR P48546 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL2661770 0.86 PPARG (0.52) HDAC1HDAC6GCGRGIPRSIRT2
SCHEMBL2652504 0.82 KDM4E (0.43) GCGRGIPRJAK2JAK1TYK2
SCHEMBL2651576 0.82 EGLN1 (0.48) GCGR
SCHEMBL2651098 0.81 KDM4E (0.46) GCGRGIPRKDM4ETDP1
SCHEMBL2652127 0.80 GCGR (0.39) GCGRGIPRKDM4E
SCHEMBL2652463 0.80 PTGER4 (0.51) HDAC1HDAC6SIRT2
SCHEMBL2653945 0.80 GCGR (0.45) GCGR
SCHEMBL7113992 0.78 SMN1; SMN2 (0.43) GCGRJAK2JAK1TYK2JAK3
SCHEMBL2653039 0.77 MRGPRX1 (0.51) GCGR
SCHEMBL2651921 0.75 VDR (0.43) GCGRGIPRJAK2JAK1TYK2

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 3760/4885HDAC6 3834/4885GCGR 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.