SCHEMBL1340780

SCHEMBL1340780

O=[N+]([O-])c1ccccc1OCC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP19A1 P11511 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL3803035 0.94 NPC1 (0.64) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL11394180 0.87 NPC1 (0.55) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1475434 0.85 NPC1 (0.54) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL9504313 0.84 TDP1 (0.47) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL12261485 0.82 CYP19A1 (0.50) RAB9ASMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL21331205 0.82 CYP1A2 (0.51) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL2413642 0.80 NPC1 (0.41) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL10502417 0.80 RECQL (0.46) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL13518631 0.80 NPC1 (0.45) NPC1RAB9ARECQLSMN1; SMN2ALDH1A1
SCHEMBL1341199 0.80 ALDH1A1 (0.51) NPC1SMN1; SMN2ALDH1A1KMT2AMEN1

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 NPC1 2201/4885RAB9A 3353/4885RECQL 3548/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885RECQL 3548/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 NPC1 2499/4885RAB9A 3335/4885RECQL 3713/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885RECQL 3548/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885RECQL 3548/4885

“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.