SCHEMBL3587868

SCHEMBL3587868

CCn1ccn(CC(=O)N2CCC(c3csc(-c4cccc(Br)c4)n3)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SHMT1 P34896 2/20 0.39
SHMT2 P34897 2/20 0.39
CPT1A P50416 5/20 0.39
CPT1B Q92523 4/20 0.39
CPT2 P23786 3/20 0.39
PIN1 Q13526 1/20 0.36
SCN9A Q15858 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CCR5 P51681 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3584269 0.90 GRIN2B (0.40) SMN1; SMN2CPT1ACPT1BCPT2PIN1
SCHEMBL14496017 0.90 CPT1A (0.39) ALDH1A1CPT1ACPT1BCPT2PIN1
SCHEMBL3591786 0.89 CPT1A (0.37) ALDH1A1SMN1; SMN2CPT1ACPT1BCPT2
SCHEMBL3576053 0.89 PIN1 (0.43) ALDH1A1SMN1; SMN2CPT1ACPT1BCPT2
SCHEMBL3589486 0.88 GRIN2B (0.43) ALDH1A1MEN1KMT2A
SCHEMBL3588606 0.86 CPT1A (0.44) CPT1ACPT1BCPT2PIN1CCR5
SCHEMBL3579063 0.84 GRIN2B (0.34) SMN1; SMN2CPT1ATLR7TLR9TLR8
SCHEMBL3581616 0.84 MAPK1 (0.41) SMN1; SMN2
SCHEMBL3575795 0.82 RORC (0.35) SMN1; SMN2CPT1ACPT1BCPT2TLR7
SCHEMBL3588339 0.82 GABRA1 (0.43) ALDH1A1SMN1; SMN2CPT1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885SMN1; SMN2 4711/4885SHMT1 2666/4885

“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.