SCHEMBL2816043

SCHEMBL2816043

CN(C)c1cccc(NC(=O)Nc2[nH]c(Cc3ccc(OCC(=O)O)cc3)nc2C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
EPHX2 P34913 1/20 0.38
CSF1R P07333 4/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL2816047 0.88 SAE1 (0.39) NOX1KITPDGFRAKDRSMN1; SMN2
SCHEMBL2815628 0.87 MAPT (0.44) KDRHTTNPC1RAB9AEPHX2
SCHEMBL13133016 0.87 SAE1 (0.41) NOX1KITPDGFRAKDRSMN1; SMN2
SCHEMBL2814086 0.87 ITGB3 (0.43) KDRSMN1; SMN2HTTNPC1RAB9A
SCHEMBL2814963 0.87 FLT3 (0.44) KDRSMN1; SMN2HTTTP53SAE1
SCHEMBL2817151 0.85 KCNMA1 (0.51) KDRSMN1; SMN2HTTRAB9ALMNA
SCHEMBL17957266 0.85 MAPT (0.43) SMN1; SMN2HTTSAE1UBA2ALDH1A1
SCHEMBL2815561 0.84 MAPT (0.44) SMN1; SMN2NPC1RAB9ATP53SAE1
SCHEMBL2814844 0.84 EPHX2 (0.43) HTTNPC1EPHX2ALDH1A1LMNA
SCHEMBL2816883 0.83 GRIN1 (0.47) GRIN1GRIN2BALDH1A1MAPTGPR174

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 NOX1 1516/4885KIT 2086/4885PDGFRA 3087/4885

“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.