SCHEMBL4469082

SCHEMBL4469082

Cc1ccc(NC(=O)CC(=O)Nc2nc(CNS(C)(=O)=O)c(Sc3ccccn3)s2)c(OCC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LPAR1 Q92633 1/20 0.35
GRM4 Q14833 4/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CSNK1D P48730 1/20 0.33
GAA P10253 2/20 0.33
GUSB P08236 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2651429 0.93 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1343332 0.93 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1343295 0.92 GRM4 (0.36) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1342753 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL2650477 0.89 GRM4 (0.36) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1343070 0.89 MAPT (0.40) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2651428 0.88 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1341766 0.88 MAPT (0.38) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4469080 0.86 MAPT (0.38) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4464864 0.86 MAPT (0.34) SMN1; SMN2MAPTNPC1RAB9ALPAR1

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 2958/4885ALDH1A1 192/4885MAPT 2678/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885ALDH1A1 192/4885MAPT 2678/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 SMN1; SMN2 3318/4885ALDH1A1 148/4885MAPT 2678/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885ALDH1A1 192/4885MAPT 2678/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885ALDH1A1 192/4885MAPT 2678/4885

“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.