SCHEMBL1341285

SCHEMBL1341285

O=C(Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(N2CCOCC2)cc1C(=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.37
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GHSR Q92847 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.34
FLT3 P36888 2/20 0.33
NR1I2 O75469 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2650485 0.95 IDH1 (0.36) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341426 0.88 AXL (0.39) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341707 0.86 GHSR (0.36) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341777 0.85 ALDH1A1 (0.40) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1342422 0.85 CDK2 (0.34) MAPTGAANPC1
SCHEMBL1343424 0.85 GHSR (0.38) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341709 0.85 CCNE1 (0.33) MAPTGAAKMT2A
SCHEMBL1342238 0.85 SMN1; SMN2 (0.35) MAPTGAANPC1KMT2A
SCHEMBL1342641 0.84 GHSR (0.35) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341029 0.84 IDH1 (0.38) IDH1CHRNA4SLC6A3GHSRALDH1A1

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 11 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
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 IDH1 58/4885CHRNA4 4810/4885SLC6A3 3287/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 IDH1 58/4885CHRNA4 4810/4885SLC6A3 3287/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 IDH1 65/4885CHRNA4 4830/4885SLC6A3 2967/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 IDH1 58/4885CHRNA4 4810/4885SLC6A3 3287/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 IDH1 58/4885CHRNA4 4810/4885SLC6A3 3287/4885

“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.