SCHEMBL6317397

SCHEMBL6317397

CCCCC(CC)CNC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
GABRA5 P31644 2/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KCNH2 Q12809 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL6318002 0.85 GAA (0.50) L3MBTL1ALDH1A1KDM4EGAAKMT2A
SCHEMBL6316924 0.84 GAA (0.49) L3MBTL1ALDH1A1KDM4EGAAHDAC3
SCHEMBL6315546 0.84 ALDH1A1 (0.49) L3MBTL1HTTALDH1A1KDM4EGAA
SCHEMBL6322760 0.83 GAA (0.48) L3MBTL1ALDH1A1KDM4EGAAHDAC3
SCHEMBL6321937 0.83 GAA (0.48) L3MBTL1ALDH1A1KDM4EGAAHDAC3
SCHEMBL6315661 0.83 GAA (0.48) L3MBTL1ALDH1A1KDM4EGAAHDAC3
SCHEMBL6317412 0.82 GABRA1 (0.42) TSHRL3MBTL1HTTGLAGAA
SCHEMBL6315380 0.80 PTAFR (0.43) L3MBTL1ALDH1A1KDM4EGABRA5LMNA
SCHEMBL6316408 0.80 TSHR (0.45) TSHRL3MBTL1HTTGLAALDH1A1
SCHEMBL6315451 0.80 ALDH1A1 (0.47) TSHRL3MBTL1HTTALDH1A1KDM4E

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 TSHR 3971/4885L3MBTL1 4176/4885HTT 2134/4885

“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.