SCHEMBL589768

SCHEMBL589768

CN(C)CCOc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.58
CHRNA4 P43681 3/20 0.58
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL9652782 0.82 TLR4 (0.48) CHRNB2CHRNA4KDM4EGAAALDH1A1
SCHEMBL7835157 0.75 MAPT (0.41) KDM4EALDH1A1LMNAMAPTLTA4H
SCHEMBL445246 0.75 ALDH1A1 (0.41) KDM4EGAAALDH1A1MAPTNFE2L2
SCHEMBL1009297 0.74 MAPT (0.54) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL589802 0.74 CHRNB2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL592047 0.74 LTA4H (0.55) KDM4EALDH1A1KCNH2HRH3LTA4H
SCHEMBL589760 0.74 MAPT (0.38) CHRNB2CHRNA4KDM4EGAAALDH1A1
SCHEMBL3213420 0.74 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL30578533 0.72 MAPT (0.61) CHRNB2CHRNA4KDM4EGAAALDH1A1
SCHEMBL30344322 0.72 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 CHRNB2 4611/4885CHRNA4 4757/4885KDM4E 832/4885

“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.