SCHEMBL6318529

SCHEMBL6318529

CCC(CC)C(=O)Nc1onc(-c2nccs2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSPA5 P11021 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
FFAR2 O15552 1/20 0.34
GCGR P47871 1/20 0.33
HSPA2 P54652 1/20 0.33
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
ADORA1 P30542 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6317751 0.91 LMNA (0.37) TDP1RECQLALDH1A1KDM4ELMNA
SCHEMBL28753360 0.82 ADORA1 (0.39) TDP1RECQLALDH1A1KDM4EHPGD
SCHEMBL6317093 0.82 ADORA2A (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL6315246 0.81 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6323617 0.80 ADORA2A (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6316058 0.80 NPC1 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6315537 0.78 HDAC1 (0.43) RECQLHSD17B10LMNATP53SMN1; SMN2
SCHEMBL6317152 0.78 SMN1; SMN2 (0.36) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL6317526 0.78 ALDH1A1 (0.36) ALDH1A1HPGDLMNA
SCHEMBL6317626 0.78 MLYCD (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 TDP1 527/4885RECQL 2512/4885ALDH1A1 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.