SCHEMBL6323646

SCHEMBL6323646

O=C(Nc1ccccc1)c1c(-c2ccccn2)noc1NS(=O)(=O)c1cc(Cl)sc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.44
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.42
ACLY P53396 1/20 0.41
EDNRB P24530 1/20 0.41
PFKFB3 Q16875 2/20 0.40
GRM4 Q14833 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PPARG P37231 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
SCHEMBL6316293 0.87 TDP1 (0.41) EDNRATDP1ACLYEDNRBPFKFB3
SCHEMBL6323274 0.77 KDM4E (0.55) CA2CA4CA7TDP1CA1
SCHEMBL6323194 0.77 CA2 (0.53) CA2CA4CA7CA1PTGS2
SCHEMBL6316151 0.71 CA1 (0.56) CA2CA4CA7CA1LMNA
SCHEMBL6324589 0.70 EDNRA (0.48) EDNRAEDNRBGRM4PTGS2
SCHEMBL6318435 0.69 KDM4E (0.57) TDP1GRM4MEN1KMT2AALDH1A1
SCHEMBL6318656 0.69 NPC1 (0.50) MEN1KMT2ALMNACYP2C9NPC1
SCHEMBL7579927 0.69 CDK1 (0.72) TDP1ACLYPFKFB3CDK1CCNB1
SCHEMBL6317676 0.69 EDNRA (0.46) EDNRAEDNRBGRM4MEN1KMT2A
SCHEMBL6316907 0.68 EDNRA (0.43) EDNRAEDNRBPFKFB3MEN1KMT2A

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 3 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

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 EDNRA 4545/4885CA2 2764/4885CA4 4029/4885

“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.