SCHEMBL6327138

SCHEMBL6327138

CCc1nc(-c2nccs2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ASAH1 Q13510 1/20 0.37
ALOX5 P09917 1/20 0.36
ACHE P22303 1/20 0.35
ADORA2A P29274 2/20 0.35
FAAH O00519 1/20 0.35
ADORA1 P30542 1/20 0.34
PTPN1 P18031 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
SCHEMBL6329645 0.86 NAMPT (0.38) MAPTSMN1; SMN2L3MBTL1
SCHEMBL6337169 0.86 NPC1 (0.45) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL6177232 0.85 TAAR1 (0.48) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL6339222 0.81 RAB9A (0.44) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL6328159 0.79 MGLL (0.46) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL6176742 0.79 TAAR1 (0.47) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL6331723 0.76 CA2 (0.48) MAPTSMN1; SMN2L3MBTL1
SCHEMBL6336505 0.73 NAMPT (0.43) L3MBTL1
SCHEMBL6176352 0.73 ALDH1A1 (0.44) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL4874807 0.70 AKT1 (0.42) L3MBTL1

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 TAAR1 2861/4885NPC1 959/4885RAB9A 1568/4885

“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.