SCHEMBL9995200

SCHEMBL9995200

COc1ccc([N+](=O)[O-])c(Nc2ccc(Br)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.58
AKR1C2 P52895 6/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
AKR1C4 P17516 2/20 0.55
AKR1C1 Q04828 2/20 0.55
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
IDO1 P14902 2/20 0.53
ALDH3A1 P30838 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL14247245 0.92 MAPT (0.61) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL4930929 0.91 MAPT (0.68) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2327024 0.87 MAPT (0.59) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL20603932 0.87 MAPT (0.71) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL29623803 0.87 MAPT (0.71) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2328384 0.86 MAPT (0.58) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2214114 0.86 MAPT (0.58) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2212705 0.86 AKR1C3 (0.68) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2334210 0.84 MAPT (0.55) AKR1C3AKR1C2MAPTMAPK1TDP1
SCHEMBL2327170 0.84 AKR1C3 (0.62) AKR1C3AKR1C2MAPTMAPK1TDP1

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 4 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
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 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 AKR1C3 1353/4885AKR1C2 1030/4885MAPT 2743/4885

“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.