SCHEMBL9899987

SCHEMBL9899987

N#Cc1c(N2CCCC(C(F)(F)F)C2)ccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 8/20 0.38
MAPT P10636 7/20 0.38
MAP4K4 O95819 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
S100A4 P26447 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
CTSB P07858 1/20 0.35
AR P10275 1/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35

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
SCHEMBL14217255 0.84 MAPT (0.51) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL9900637 0.83 MAP4K4 (0.41) LMNAALDH1A1MAP4K4HTTMEN1
SCHEMBL9899663 0.71 MAP4K4 (0.40) LMNAALDH1A1MAPTMAP4K4HTT
SCHEMBL12065803 0.69 MAPT (0.68) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL6716274 0.68 MAPT (0.56) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL23850885 0.68 MAPT (0.54) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL22587511 0.68 CYP1A2 (0.64) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL23850889 0.68 MAPT (0.54) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL9899128 0.66 MAPT (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL14800490 0.65 PIM1 (0.43) LMNAALDH1A1MAPTMAP4K4HTT

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 9 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-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 LMNA 2657/4885ALDH1A1 140/4885MAPT 4308/4885

“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.