SCHEMBL2825409

SCHEMBL2825409

COc1ccc(-c2csc(NCc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTGS2 P35354 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
GAA P10253 2/20 0.52
ROCK1 Q13464 2/20 0.52

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
SCHEMBL2828957 0.89 MEN1 (0.55) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL12297613 0.84 MEN1 (0.64) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL2827084 0.81 KMT2A (0.75) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL12297604 0.81 MAPT (0.56) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL12297607 0.79 MAPT (0.54) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL18425997 0.77 MEN1 (0.58) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL12297289 0.77 HRH4 (0.53) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL24590327 0.77 RAB9A (0.68) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL2579091 0.74 GAA (0.64) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL4492272 0.74 MAPT (0.64) NPC1MEN1MAPTKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931659-B1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-09-08 EP disclosed
EP-1931659-B1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-09-08 EP disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
EP-1931659-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS PPARA, PPARD, PPARG NPC1 3355/4885MEN1 4730/4885MAPT 205/4885

“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.