SCHEMBL2658062

SCHEMBL2658062

O=C(Nc1nccs1)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HSPA5 P11021 9/20 0.65
HSPA2 P54652 4/20 0.65
HSPA9 P38646 2/20 0.65
LMNA P02545 1/20 0.62
METAP2 P50579 1/20 0.62
METAP1 P53582 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.61
HSPA1A P0DMV8 1/20 0.61
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL5064879 0.88 KCNK3 (0.62) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL23804606 0.82 HSPA5 (0.78) MEN1KMT2AHSPA5HSPA2HSPA9
SCHEMBL23804614 0.80 HSPA5 (1.00) ALDH1A1HSPA5HSPA2HSPA9SMN1; SMN2
SCHEMBL23804607 0.80 HSPA5 (0.74) HSPA5HSPA2HSPA9LMNASMN1; SMN2
SCHEMBL23804616 0.80 HSPA5 (1.00) ALDH1A1HSPA5HSPA2HSPA9SMN1; SMN2
SCHEMBL23804615 0.80 HSPA5 (0.74) HSPA5HSPA2HSPA9LMNASMN1; SMN2
SCHEMBL23804612 0.80 HSPA5 (1.00) ALDH1A1HSPA5HSPA2HSPA9SMN1; SMN2
SCHEMBL16011604 0.79 ALDH1A1 (1.00) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL995829 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2628996 0.78 NPC1 (0.76) NPC1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO 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
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 NPC1 1277/4885RAB9A 2651/4885MEN1 2997/4885

“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.