SCHEMBL4470766

SCHEMBL4470766

Cc1ccc(NC(=O)Nc2ncc(CN(C)C)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABCC1 P33527 1/20 0.39
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 2/20 0.39
OGA O60502 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2652025 0.90 OGA (0.44) SMN1; SMN2MAPK13OGAALDH1A1
SCHEMBL1343232 0.88 CNR1 (0.42) SMN1; SMN2NPC1RAB9AABCC1MAPK14
SCHEMBL1341694 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1342665 0.86 MAPK14 (0.37) SMN1; SMN2NPC1RAB9AABCC1MAPK14
SCHEMBL1340887 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1342742 0.86 OGA (0.41) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1342802 0.85 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1342766 0.85 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1343174 0.84 MAPK14 (0.42) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1344039 0.84 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AABCC1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 SMN1; SMN2 3318/4885NPC1 2499/4885RAB9A 3335/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885

“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.