SCHEMBL13031350

SCHEMBL13031350

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)Cn4cnc(CC(=O)O)c4C)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 4/20 0.32
PTGS1 P23219 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
KCNH2 Q12809 2/20 0.31
GRIN2B Q13224 4/20 0.30
GRIN1 Q05586 1/20 0.30
HPGD P15428 1/20 0.30
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 0.30

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
SCHEMBL13031347 0.93 KMT2A (0.33) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13031326 0.93 KCNH2 (0.36) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13031362 0.89 KMT2A (0.33) SMN1; SMN2NPC1RAB9APTGS2PTGS1
Hydrochloric Acid SCHEMBL3591188 0.85 CPT1A (0.34) KCNH2HPGD
SCHEMBL13031179 0.85 IRAK4 (0.33) SMN1; SMN2PTGS2PTGS1KCNH2GRIN2B
SCHEMBL13031372 0.85 PTGS2 (0.35) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13072300 0.84 KMT2A (0.34) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13031205 0.84 GRIN2B (0.35) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL13031479 0.83 NAMPT (0.36) PTGS2PTGS1KCNH2GRIN2BGRIN1
SCHEMBL13031370 0.83 PTGS2 (0.35) PTGS2PTGS1KCNH2GRIN2BGRIN1

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 2 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

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 SMN1; SMN2 4711/4885NPC1 1365/4885RAB9A 2780/4885

“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.