SCHEMBL6565464

SCHEMBL6565464

Cc1cc(Br)ccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CASP7 P55210 1/20 0.51
MAPT P10636 6/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 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
SCHEMBL23682559 0.85 TDP1 (0.54) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL16531986 0.84 MAPK1 (0.53) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL31075039 0.83 KMT2A (0.47) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL4055339 0.82 MAPK1 (0.62) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30615696 0.82 MAPT (0.64) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL4945081 0.82 MAPT (0.64) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11518667 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL14372966 0.82 MAPK1 (0.54) ALDH1A1MAPK1TDP1L3MBTL1CASP7
Ammonia Solution, Strong SCHEMBL27787948 0.81 MAPK1 (0.61) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL21463690 0.80 MAPT (0.51) ALDH1A1MAPK1TDP1L3MBTL1CASP7

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-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
CN-102947274-A Biphenyl substituted 1, 3-dihydro-benzoimidazol-2-ylideneamine derivatives NOVARTIS AG 2013-02-27 CN disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 ALDH1A1 235/4885MAPK1 662/4885TDP1 3143/4885

“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.