SCHEMBL6315245

SCHEMBL6315245

COc1ccccc1CNC(=O)c1c(-c2ccc(Cl)o2)noc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
PTGS1 P23219 2/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RCE1 Q9Y256 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6317388 0.89 ADORA2A (0.61) NPC1ALDH1A1HTTLMNAMAPT
SCHEMBL6316481 0.88 CA1 (0.47) NPC1ALDH1A1HTTLMNAMAPT
SCHEMBL6315923 0.87 CA2 (0.52) NPC1ALDH1A1HTTMAPTCA1
SCHEMBL6321836 0.87 CA1 (0.53) NPC1ALDH1A1HTTLMNAMAPT
SCHEMBL6323058 0.86 NPC1 (0.51) NPC1ALDH1A1HTTLMNAMAPT
SCHEMBL6322551 0.85 CA1 (0.54) NPC1ALDH1A1MAPTCA1CA2
SCHEMBL6317496 0.85 CA1 (0.52) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL6316303 0.84 ADORA2A (0.61) NPC1ALDH1A1HTTLMNAMAPT
SCHEMBL6318190 0.83 CA1 (0.48) ALDH1A1HTTLMNAMAPK1CA1
SCHEMBL6317529 0.83 CA2 (0.50) NPC1MAPTCA1CA2CA4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 NPC1 3741/4885ALDH1A1 4444/4885HTT 2134/4885

“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.