SCHEMBL1340893

SCHEMBL1340893

COc1ccccc1Oc1ncccc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.80
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
PIN1 Q13526 1/20 0.59
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 7/20 0.53
MAPK1 P28482 2/20 0.53
GFER P55789 1/20 0.50
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1340619 0.87 ALDH1A1 (0.69) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL11033001 0.85 ALDH1A1 (0.80) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL231110 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL3158662 0.84 ALDH1A1 (0.78) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL18613017 0.84 ALDH1A1 (0.78) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL10522426 0.84 ALDH1A1 (0.77) ALDH1A1L3MBTL1KMT2AMEN1NPC1
SCHEMBL2563520 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL8875848 0.82 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1PIN1
SCHEMBL3150556 0.82 ALDH1A1 (0.75) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL30042504 0.81 ALDH1A1 (0.74) ALDH1A1L3MBTL1KMT2AMEN1NPC1

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 ALDH1A1 192/4885L3MBTL1 2520/4885TDP1 3398/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885L3MBTL1 2520/4885TDP1 3398/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885L3MBTL1 2582/4885TDP1 3616/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885L3MBTL1 2520/4885TDP1 3398/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885L3MBTL1 2520/4885TDP1 3398/4885

“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.