SCHEMBL495833

SCHEMBL495833

O=C1CCc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.56
KIF11 P52732 1/20 0.56
TDP2 O95551 1/20 0.53
NPC1 O15118 2/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
ADRA2A P08913 1/20 0.47
PNMT P11086 1/20 0.47
PGR P06401 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30270534 1.00 CA9 (0.56) CA9KIF11TDP2NPC1MAPK13
SCHEMBL2061055 0.90 MAPT (0.51) CA9KIF11TDP2NPC1ADRA2A
SCHEMBL516986 0.87 KIF11 (0.67) CA9KIF11TDP2NPC1MAPK13
SCHEMBL2993057 0.85 TDP2 (0.67) TDP2ADRA2APNMTPGRCAPN9
SCHEMBL19224978 0.82 MEN1 (0.54) KIF11TDP2NPC1MAPK13MAPK12
SCHEMBL29485953 0.82 MEN1 (0.54) KIF11TDP2NPC1MAPK13MAPK12
SCHEMBL27481409 0.80 PNMT (0.44) KIF11TDP2NPC1ADRA2APNMT
SCHEMBL4897946 0.78 PGR (0.63) KIF11TDP2NPC1MAPK13MAPK12
SCHEMBL2061723 0.78 AKR1B1 (0.47) KIF11TDP2NPC1ADRA2APNMT
SCHEMBL2616922 0.78 CAPN9 (0.58) CA9KIF11TDP2PGRCAPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 CN disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CA9 1791/4885KIF11 4655/4885TDP2 2391/4885

“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.