SCHEMBL9900229

SCHEMBL9900229

CNc1ccc(N2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.51
MAPK1 P28482 3/20 0.45
SIRT6 Q8N6T7 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.43
HTT P42858 3/20 0.43
HCAR3 P49019 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 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
SCHEMBL9904163 0.80 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15033699 0.79 ADRB1 (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9899693 0.79 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9899784 0.78 S100B (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9939965 0.78 MAPT (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9899721 0.77 KMT2A (0.53) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL21761895 0.76 MAPT (0.59) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL16181915 0.76 NR1H2 (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL10035934 0.74 POLB (0.59) MAPTKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL9898192 0.74 MAPT (0.43) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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 7 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

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 4308/4885KMT2A 3417/4885ALDH1A1 140/4885

“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.