SCHEMBL2657656

SCHEMBL2657656

O=C(Nc1nccs1)c1csc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 3/20 0.64
KDM4E B2RXH2 1/20 0.64
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL17644743 0.78 LMNA (0.47) NPC1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL3191246 0.78 NPC1 (1.00) NPC1LMNAMAPTKDM4ERAB9A
SCHEMBL12124359 0.77 RAB9A (0.65) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL2657422 0.77 NPC1 (0.64) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL22348661 0.76 NPC1 (0.72) NPC1LMNAMAPTKDM4ERAB9A
Nitrobenzene SCHEMBL27694792 0.75 NPC1 (0.82) NPC1LMNAMAPTKDM4ERAB9A
SCHEMBL1454189 0.74 ALDH1A1 (0.67) NPC1LMNAMAPTKDM4ERAB9A
SCHEMBL3188607 0.74 NPC1 (0.65) NPC1LMNAMAPTKDM4ERAB9A
SCHEMBL3181018 0.74 ALDH1A1 (0.67) NPC1LMNAMAPTKDM4ERAB9A
SCHEMBL20261868 0.73 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP claimed
CN-101959515-B Glucokinase activators MERCK PATENT GMBH 2013-06-12 CN claimed
CN-101959515-A Glucokinase activators MERCK PATENT GMBH 2011-01-26 CN claimed
US-20100331338-A1 Glucokinase Activators MERCK PATENT GMBH (DE) 2010-12-30 US claimed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO claimed
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
CN-101959515-B Glucokinase activators MERCK PATENT GMBH 2013-06-12 CN disclosed
CN-101959515-A Glucokinase activators MERCK PATENT GMBH 2011-01-26 CN disclosed
US-20100331338-A1 Glucokinase Activators MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-20100331338-A1 Glucokinase Activators MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 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 (1 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-20100331338-A1 Glucokinase Activators GCKR, HK1, GCK NPC1 1277/4885LMNA 4289/4885MAPT 3017/4885

“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.