SCHEMBL9900549

SCHEMBL9900549

CNc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.66
ALDH1A1 P00352 9/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSB P07858 1/20 0.45
MAPK1 P28482 2/20 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
SCHEMBL9899875 0.85 MAPT (0.60) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4573230 0.83 MAPT (0.76) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL17651126 0.83 MAPT (0.76) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL14217244 0.83 MAPT (0.54) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL3174477 0.82 MAPT (0.71) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL9035671 0.81 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL1192644 0.80 MAPT (1.00) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL9899693 0.79 MAPT (0.46) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL19174849 0.79 MAPT (0.66) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL9939971 0.79 MAPT (0.50) MAPTALDH1A1L3MBTL1KMT2AMEN1

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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAPT 4308/4885ALDH1A1 140/4885TDP1 1871/4885

“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.