SCHEMBL4301401

SCHEMBL4301401

CN(C)c1ccc(C(N)=S)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
CRHR1 P34998 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
CES2 O00748 1/20 0.35
PDK2 Q15119 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
RAD52 P43351 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
NOS1 P29475 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL5545123 0.83 AR (0.43) ARCRHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4306068 0.77 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL26020399 0.75 CES2 (0.45) ARCRHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4301391 0.75 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL16527182 0.75 IDO1 (0.43) ALDH1A1KMT2ACES2HPGDRAD52
SCHEMBL26440666 0.74 AR (0.41) ARCRHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1110884 0.74 CFTR (0.48) ARALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6888239 0.74 KDM1A (0.44) ALDH1A1CES2HPGDRAD52
SCHEMBL6893498 0.74 GAA (0.41) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4302622 0.74 ALDH1A1 (0.42) CRHR1ALDH1A1MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 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-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B AR 3181/4885CRHR1 3094/4885ALDH1A1 2705/4885

“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.