SCHEMBL2657025

SCHEMBL2657025

O=C(Nc1nccs1)c1csc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
RAB9A P51151 8/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
LMNA P02545 4/20 0.61
METAP2 P50579 1/20 0.61
METAP1 P53582 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 1/20 0.60
HPGD P15428 5/20 0.60
HTT P42858 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TP53 P04637 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60

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
SCHEMBL17655802 0.83 RAB9A (0.47) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL15113503 0.82 CYP3A4 (0.70) SMN1; SMN2L3MBTL1ALDH1A1HPGDHTT
SCHEMBL3278951 0.77 CYP1A2 (0.73) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5206561 0.77 CYP1A2 (1.00) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL20541971 0.76 HDAC3 (0.68) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1897970 0.76 NPC1 (1.00) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11509919 0.76 NPC1 (0.70) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1606455 0.76 NPC1 (0.79) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL24072353 0.75 CYP3A4 (0.81) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL30339352 0.75 NPC1 (1.00) CYP1A2RAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20100331338-A1 Glucokinase Activators MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP disclosed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO 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 CYP1A2 1182/4885RAB9A 2651/4885NPC1 1277/4885

“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.