SCHEMBL493217

SCHEMBL493217

O=C(O)CCNC(=O)c1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.49
GCG P01275 2/20 0.49
MME P08473 1/20 0.43
GSK3B P49841 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL492888 0.88 SHMT1 (0.48) MMEGSK3BHDAC4HDAC6ALDH1A1
SCHEMBL493476 0.81 FABP4 (0.48) GCGRGSK3B
SCHEMBL494459 0.80 HDAC4 (0.50) HDAC4HDAC6
SCHEMBL28816298 0.76 ALPL (0.50) HDAC4HDAC6ALDH1A1
SCHEMBL493213 0.74 KMT2A (0.41) MMEALDH1A1
SCHEMBL28816278 0.72 HTT (0.56) HDAC4HDAC6ALDH1A1
SCHEMBL493923 0.72 KMT2A (0.65)
SCHEMBL28044246 0.72 CTSA (0.61) GCGR
SCHEMBL493260 0.71 SMN1; SMN2 (0.75)
SCHEMBL493896 0.71 FAAH (0.56) ALDH1A1

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD GCGR 2660/4885GCG 769/4885MME 1616/4885

“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.