SCHEMBL4097144

SCHEMBL4097144

Cc1cc(Oc2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 5/20 0.50
RAB9A P51151 1/20 0.47
MAPK1 P28482 4/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGES O14684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42

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
SCHEMBL1414076 0.82 PIN1 (0.51) ALDH1A1MAPTRAB9ANPSR1SMN1; SMN2
SCHEMBL6567167 0.81 MAPT (0.49) L3MBTL1ALDH1A1POLBMAPTNPSR1
SCHEMBL1201480 0.79 KDR (0.43) POLBMAPTRAB9ANPSR1TDP1
SCHEMBL3506280 0.79 MAPT (0.70) L3MBTL1ALDH1A1POLBMAPTRAB9A
SCHEMBL4607970 0.79 MAPT (0.47) ALDH1A1POLBMAPTNPSR1TDP1
SCHEMBL7781854 0.77 MAPT (0.54) L3MBTL1ALDH1A1POLBMAPTNPSR1
SCHEMBL31176892 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL22529894 0.75 PIN1 (0.55) ALDH1A1POLBMAPTRAB9AGAA
SCHEMBL29349900 0.75 PIN1 (0.55) ALDH1A1POLBMAPTRAB9AGAA
SCHEMBL8917615 0.75 MAPT (0.37) ALDH1A1POLBMAPTRAB9AMAPK1

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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 US disclosed
EP-1841766-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077401-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 L3MBTL1 3595/4885ALDH1A1 2562/4885POLB 3080/4885

“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.