SCHEMBL1339829

SCHEMBL1339829

O=C(Nc1nc(CSc2ccccc2)c(Sc2ncc[nH]2)s1)Nc1cccnc1C(=O)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
HDAC1 Q13547 1/20 0.32
CDK5 Q00535 2/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
VCP P55072 2/20 0.30
KMT2A Q03164 2/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1341372 0.92 NTRK1 (0.34) NTRK1NTRK2HDAC1CDK5RAB9A
SCHEMBL1341794 0.89 CDK5 (0.33) NTRK1CDK5CCNE1CDK2RAB9A
SCHEMBL1342541 0.88 NTRK1 (0.33) NTRK1NTRK2RAB9AALDH1A1ADORA3
SCHEMBL1341541 0.88 GCK (0.35) CDK5CCNE1CDK2RAB9AALDH1A1
SCHEMBL1339825 0.87 CCNE1 (0.34) NTRK1NTRK2HDAC1CDK5CCNE1
SCHEMBL1342421 0.87 CCNE1 (0.33) NTRK1NTRK2HDAC1CDK5CCNE1
SCHEMBL1342315 0.87 CCNE1 (0.36) NTRK1NTRK2CDK5CCNE1CDK2
SCHEMBL1342122 0.86 CCNE1 (0.35) CDK5CCNE1CDK2RAB9AALDH1A1
SCHEMBL2651700 0.86 PRMT5 (0.34) NTRK1NTRK2RAB9AALDH1A1KMT2A
SCHEMBL1343263 0.85 NTRK1 (0.34) NTRK1NTRK2RAB9AALDH1A1KMT2A

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 13 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-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 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
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO 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 NTRK1 2877/4885NTRK2 3094/4885HDAC1 346/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885HDAC1 346/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 NTRK1 2954/4885NTRK2 3135/4885HDAC1 350/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885HDAC1 346/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885HDAC1 346/4885

“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.