SCHEMBL6317872

SCHEMBL6317872

NC(=O)c1c(-c2ccsc2)noc1NC(=O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CFTR P13569 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
GRM4 Q14833 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
ACR P10323 1/20 0.39

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
SCHEMBL6322761 0.87 FLT3 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27609887 0.87 ALDH1A1 (0.43) NPC1RAB9ACFTRSMN1; SMN2CYP1A2
SCHEMBL6316726 0.85 JAK2 (0.53) NPC1RAB9ACFTRSMN1; SMN2CYP1A2
SCHEMBL6316420 0.85 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1ANO1
SCHEMBL6316187 0.84 KIT (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6318058 0.82 KMT2A (0.54) NPC1RAB9ACFTRSMN1; SMN2CYP1A2
SCHEMBL27591953 0.81 MEN1 (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6318780 0.80 SMN1; SMN2 (0.54) NPC1RAB9ACFTRSMN1; SMN2CYP1A2
SCHEMBL6315475 0.79 KIT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6316204 0.79 NPC1 (0.39) NPC1RAB9AALDH1A1HSD17B10TSHR

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 3741/4885RAB9A 1754/4885CFTR 3392/4885

“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.