SCHEMBL5654099

SCHEMBL5654099

O=C1OCCN1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
POLB P06746 2/20 0.45
APEX1 P27695 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.40
SLC6A5 Q9Y345 3/20 0.40
SLC6A9 P48067 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14580060 0.85 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5375868 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL11491917 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL14580059 0.83 SLC6A9 (0.43) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL14580057 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14864864 0.81 CTSB (0.42) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL77799 0.81 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL4013521 0.81 CYP3A4 (0.46) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5652989 0.78 MAPT (0.45) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL13271888 0.77 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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 (2 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-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 ALDH1A1 1398/4885KMT2A 4439/4885LMNA 4052/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ ALDH1A1 2948/4885KMT2A 760/4885LMNA 1093/4885

“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.