SCHEMBL3594313

SCHEMBL3594313

COC(=O)Cn1ccnc1SC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL13031333 0.83 GFER (0.40) GFERRAB9AMEN1ALDH1A1KMT2A
SCHEMBL11736157 0.81 GFER (0.56) GFERRAB9AMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3586167 0.80 GFER (0.55) GFERRAB9AMEN1ALDH1A1KMT2A
SCHEMBL2960305 0.78 ALPL (0.50) GFERMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13010096 0.77 TLR8 (0.45) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL13072246 0.76 SMN1; SMN2 (0.39) GFERMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3582565 0.75 FPR2 (0.43) ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL4963238 0.74 SMN1; SMN2 (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5765600 0.73 SMN1; SMN2 (0.42) GFERALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL3596407 0.73 GAA (0.38) RAB9AALDH1A1SMN1; SMN2NPC1LMNA

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-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
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US 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 GFER 2861/4885RAB9A 2780/4885MEN1 4848/4885

“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.