SCHEMBL3591786

SCHEMBL3591786

CCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(Br)cc4)n3)CC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 8/20 0.37
CPT2 P23786 3/20 0.37
QPCT Q16769 1/20 0.36
CPT1B Q92523 1/20 0.35
NTMT1 Q9BV86 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIN1 Q13526 1/20 0.35
ENPP2 Q13822 1/20 0.35
CCR5 P51681 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL3581616 0.91 MAPK1 (0.41) SMN1; SMN2
SCHEMBL3588606 0.91 CPT1A (0.44) CPT1ACPT2QPCTCPT1BPIN1
SCHEMBL3576053 0.91 PIN1 (0.43) CPT1ACPT2CPT1BPIN1CCR5
SCHEMBL3587868 0.89 ALDH1A1 (0.44) CPT1ACPT2CPT1BPIN1CCR5
SCHEMBL3588339 0.89 GABRA1 (0.43) CPT1ACPT2SMN1; SMN2ALDH1A1NPC1
SCHEMBL3590376 0.89 TRPC3 (0.41) CPT1ACPT2NTMT1
SCHEMBL3581033 0.89 TP53 (0.36) CPT1ACPT2QPCTCPT1BNTMT1
SCHEMBL3579063 0.85 GRIN2B (0.34) CPT1AENPP2SMN1; SMN2
SCHEMBL14496017 0.84 CPT1A (0.39) CPT1ACPT2QPCTCPT1BPIN1
SCHEMBL3584269 0.84 GRIN2B (0.40) CPT1ACPT2CPT1BPIN1SMN1; SMN2

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
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
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CPT1A 1947/4885CPT2 2552/4885QPCT 1119/4885

“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.