SCHEMBL6322668

SCHEMBL6322668

O=[N+]([O-])c1ccoc1-c1ccon1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
PAX8 Q06710 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP19A1 P11511 1/20 0.30
MIF P14174 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL11662382 0.73 LMNA (0.33) LMNACASP3PAX8
SCHEMBL4327625 0.72 ALDH1A1 (0.50) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL11414766 0.70 RAB9A (0.45) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL5139807 0.68 MAPT (0.46) LMNACASP3NPC1RAB9APOLB
SCHEMBL27534175 0.65 ALDH1A1 (0.51) LMNACASP3NPC1RAB9AALDH1A1
SCHEMBL3466683 0.65
SCHEMBL2059980 0.65
SCHEMBL9684858 0.65 TDP1 (0.39) LMNAPAX8ALDH1A1POLBMAPT
SCHEMBL3082762 0.65 NPC1 (0.42) NPC1RAB9AALDH1A1POLBMAPT
SCHEMBL2653441 0.63 IDO1 (0.54) LMNACASP3NPC1RAB9AALDH1A1

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 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 LMNA 3334/4885CASP3 1373/4885GSTP1 4474/4885

“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.