SCHEMBL1343631

SCHEMBL1343631

O=C(Nc1nc(CSc2ccccc2)c(Br)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL1340891 0.91 CCNE1 (0.36) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1342772 0.90 MAPT (0.38) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1342106 0.90 RAB9A (0.39) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1341154 0.90 MAPT (0.37) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1340845 0.90 CCNE1 (0.36) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1340598 0.89 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1341195 0.88 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1340847 0.88 CCNE1 (0.35) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1343651 0.88 CSNK1D (0.37) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1343436 0.88 MAPT (0.42) KMT2AMEN1ALDH1A1MAPTRAB9A

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 KMT2A 1526/4885MEN1 4426/4885ALDH1A1 192/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885MEN1 4426/4885ALDH1A1 192/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 KMT2A 1719/4885MEN1 4547/4885ALDH1A1 148/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885MEN1 4426/4885ALDH1A1 192/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885MEN1 4426/4885ALDH1A1 192/4885

“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.