SCHEMBL2814331

SCHEMBL2814331

O=C(CCCc1nc(C(=O)O)c(NC(=O)Nc2ccc(Cl)cc2)[nH]1)Nc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.44
ALPL P05186 3/20 0.41
ALPI P09923 2/20 0.41
ALPG P10696 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
P2RX3 P56373 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13133026 0.92 MAPKAPK2 (0.46) MAPKAPK2ALPLALPIALPGGRIN2D
SCHEMBL2818198 0.89 MCHR1 (0.40) MAPKAPK2ALPLALPIALPG
SCHEMBL2815452 0.87 MAPKAPK2 (0.47) MAPKAPK2ALPLALPIALPGGRIN2D
SCHEMBL2814063 0.84 MCHR1 (0.43) MAPKAPK2ALPLALPIALPG
SCHEMBL2814556 0.83 ROCK2 (0.53)
SCHEMBL2815670 0.82 NTRK1 (0.40) MAPT
SCHEMBL13133029 0.82 MAPKAPK2 (0.40) MAPKAPK2ALPLALPIALPG
SCHEMBL17957257 0.81 MAPKAPK2 (0.44) MAPKAPK2ALPLALPIALPGGRIN2D
SCHEMBL2813215 0.80 NTRK1 (0.41) MAPT
SCHEMBL17957278 0.79 MCHR1 (0.38) MAPKAPK2ALPLALPIALPG

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 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 MAPKAPK2 4511/4885ALPL 1707/4885ALPI 1254/4885

“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.