SCHEMBL13775461

SCHEMBL13775461

COC(=O)Cc1c(NOO)ccc2nn(C3CCCCO3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
BRAF P15056 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE8B O95263 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL11911432 0.86 ABL1 (0.41) ABL1CD274PDE8BRXRARXRB
SCHEMBL1141792 0.85 PDE8B (0.37) ABL1BRAFCD274PDE8BRXRA
SCHEMBL1141609 0.85 ABL1 (0.35) ABL1BRAFCD274PDE8BKDM4E
SCHEMBL1141798 0.82 ABL1 (0.36) ABL1CD274PDE8BRXRARXRB
SCHEMBL1141291 0.73 ABL1 (0.35) ABL1CD274KDM4EALDH1A1HPGD
SCHEMBL11911433 0.70 ABL1 (0.38) ABL1CD274KDM4EALDH1A1MAPK1
SCHEMBL11913135 0.70 ABL1 (0.33) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL13061927 0.70 ALDH1A1 (0.33) ABL1CD274ALDH1A1
SCHEMBL1141469 0.69 ABL1 (0.38) ABL1CD274RXRARXRBRXRG
SCHEMBL31562893 0.69 RXRA (0.42) CD274PDE8BRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US 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-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 ABL1 39/4885BRAF 518/4885CD274 4148/4885

“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.