SCHEMBL6316706

SCHEMBL6316706

Nc1onc(-c2nccs2)c1C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 3/20 0.43
SCN3A Q9NY46 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6322686 0.83 CA1 (0.53) GAAALDH1A1RAB9ANPC1NPSR1
SCHEMBL6316767 0.82 RAB9A (0.61) GAAKDM4EALDH1A1MAPTRAB9A
SCHEMBL6318418 0.81 POLB (0.53) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL27609804 0.81 USP28 (0.44) GAAKDM4EALDH1A1MAPTRAB9A
SCHEMBL6319053 0.81 HPGDS (0.54) GAAKDM4EALDH1A1MAPTNPC1
SCHEMBL27591690 0.80 KDM4E (0.42) GAAKDM4EALDH1A1MAPTRAB9A
SCHEMBL6316669 0.80 ALDH1A1 (0.44) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6316604 0.79 ALDH1A1 (0.57) GAAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL6318511 0.79 GAA (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL6315993 0.78 ECE1 (0.41) GAAALDH1A1RAB9ALMNAMAPK1

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 8 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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
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 GAA 789/4885KDM4E 1382/4885ALDH1A1 4444/4885

“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.