SCHEMBL3989807

SCHEMBL3989807

Cc1ccccc1C(=O)Nc1[nH]c(-c2ccc(CC(=O)O)cc2)nc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.58
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
DGAT1 O75907 3/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NR1H4 Q96RI1 5/20 0.42
SOAT1 P35610 2/20 0.41
CHEK2 O96017 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
TYK2 P29597 1/20 0.39

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
SCHEMBL3994385 0.81 NR1H4 (0.46) MAPTDGAT1NR1H4SOAT1CHEK2
SCHEMBL3993080 0.79 NR1H4 (0.46) DGAT1NR1H4SOAT1CHEK2SMN1; SMN2
SCHEMBL2816747 0.78 DGAT1 (0.44) KDM4EDGAT1SOAT1
SCHEMBL2814782 0.77 HPSE (0.44) MAPTHTTDGAT1SOAT1NPC1
SCHEMBL2812209 0.75 MEN1 (0.44) KDM4EDGAT1CHEK2
SCHEMBL2818258 0.75 KIF11 (0.43) KDM4EALDH1A1MAPTDGAT1SOAT1
SCHEMBL25231857 0.74 MEN1 (0.58) MAPTCHEK2NPC1RAB9A
SCHEMBL2819129 0.73 MEN1 (0.47) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL2812631 0.73 EPHX2 (0.44) MAPTCHEK2PARP1
SCHEMBL3993126 0.72 DGAT1 (0.51) LMNAMAPTHTTDGAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362057-B2 Insulin resistance; atherosclerosis; cardiovascular disorders; metabolism disorders MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-29 US disclosed
EP-1910310-B1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
US-20080207720-A1 Novel Imidazolecarboxamide Derivatives as Fructose-1,6-Bisphosphatase Inhibitors, and Pharmaceutical Compositions Comprising Same MERCK PATENT GESELLSCHAFT (DE) 2008-08-28 US disclosed
EP-1910310-A1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2008-04-16 EP disclosed
WO-2007014619-A1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2007-02-08 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-20080207720-A1 Novel Imidazolecarboxamide Derivatives as Fructose-1,6-Bisphosphatase Inhibitors, and Pharmaceutical Compositions Comprising Same FBP1, INSR, GPR119 FFAR1 43/4885HPGD 1049/4885KDM4E 2295/4885

“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.