SCHEMBL2816883

SCHEMBL2816883

NC(=O)c1nc(Cc2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.47
GRIN2B Q13224 6/20 0.47
FFAR1 O14842 1/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
GPR174 Q9BXC1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PTPN7 P35236 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN12 Q05209 1/20 0.40
GBA1 P04062 1/20 0.40
TYMP P19971 1/20 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
SCHEMBL2812979 0.90 MAPT (0.40) CA12CA1CA2CA9GPR174
SCHEMBL17957266 0.90 MAPT (0.43) FFAR1CA12CA1CA2CA9
SCHEMBL2813209 0.90 LMNA (0.47) CA12CA1CA2CA9MEN1
SCHEMBL2815561 0.90 MAPT (0.44) GPR174MEN1ALDH1A1MAPTKMT2A
SCHEMBL2816767 0.90 MEN1 (0.43) CA12CA1CA2CA9GPR174
SCHEMBL2816790 0.88 SAE1 (0.49) GRIN1GRIN2BCA12CA1CA2
SCHEMBL2814844 0.87 EPHX2 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL2815366 0.87 IDH1 (0.49) FFAR1ALDH1A1MAPT
SCHEMBL2816333 0.87 RAB9A (0.43) CA12CA1CA2CA9GPR174
SCHEMBL2815483 0.86 MEN1 (0.48) CA12CA1CA2CA9MEN1

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 1 patent. 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

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 GRIN1 1886/4885GRIN2B 2449/4885FFAR1 4762/4885

“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.