SCHEMBL6329645

SCHEMBL6329645

CCc1nc(-c2nccs2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
METTL3 Q86U44 1/20 0.36
PTGER4 P35408 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
P2RY14 Q15391 1/20 0.35
NQO2 P16083 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SREBF2 Q12772 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL6336505 0.84 NAMPT (0.43) NAMPTCA1CA2AKT1ALDH1A1
SCHEMBL4874807 0.81 AKT1 (0.42) NAMPTCA1CA2AKT1METTL3
SCHEMBL6332247 0.81 P2RY14 (0.43) NAMPTCA1CA2AKT1ALDH1A1
SCHEMBL6331701 0.80 NAMPT (0.41) NAMPTCA1CA2AKT1ALDH1A1
SCHEMBL6178692 0.80 CA2 (0.44) NAMPTCA1CA2AKT1ALDH1A1
SCHEMBL6331660 0.79 POLB (0.40) NAMPTCA1CA2AKT1ALDH1A1
SCHEMBL6331723 0.77 CA2 (0.48) CA1CA2ALDH1A1PTGER4L3MBTL1
SCHEMBL4875387 0.77 AKT1 (0.38) AKT1L3MBTL1P2RY14KDM4EBRD4
SCHEMBL6337169 0.71 NPC1 (0.45) ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6177232 0.70 TAAR1 (0.48) ALDH1A1MAPT

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES NAMPT 1992/4885CA1 2155/4885CA2 608/4885

“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.