SCHEMBL6316743

SCHEMBL6316743

COc1ccccc1CNC(=O)c1c(-c2ccsc2)noc1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
RCE1 Q9Y256 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL6316160 0.88 MAOB (0.46) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL6315227 0.83 HPGD (0.56) NPC1TDP1HPGDALDH1A1KDM4E
SCHEMBL6316081 0.82 ALDH1A1 (0.55) NPC1HPGDALDH1A1KDM4ERCE1
SCHEMBL6318511 0.82 GAA (0.47) NPC1ALDH1A1KMT2APOLBMAPK1
SCHEMBL6316578 0.82 NPC1 (0.54) NPC1TDP1HPGDALDH1A1KDM4E
SCHEMBL6323905 0.82 NPC1 (0.52) NPC1HPGDALDH1A1KDM4ERCE1
SCHEMBL6315094 0.81 NPC1 (0.56) NPC1HPGDALDH1A1KDM4ERCE1
SCHEMBL6316348 0.80 NPC1 (0.54) NPC1TDP1HPGDALDH1A1KDM4E
SCHEMBL6316303 0.80 ADORA2A (0.61) NPC1TDP1HPGDALDH1A1KDM4E
SCHEMBL6323849 0.80 NPC1 (0.52) NPC1HPGDALDH1A1KDM4ERCE1

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 6 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
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 3741/4885TDP1 527/4885HPGD 2923/4885

“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.