SCHEMBL9994875

SCHEMBL9994875

Cc1ccc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
LMNA P02545 2/20 0.59
IDO1 P14902 2/20 0.53
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KAT2B Q92831 2/20 0.49
KCNMA1 Q12791 1/20 0.48
ALDH3A1 P30838 2/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL11381627 0.87 IDO1 (0.58) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL15000805 0.85 MAPT (0.71) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL8758312 0.85 L3MBTL1 (0.64) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL4938163 0.84 L3MBTL1 (0.68) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL12415846 0.84 EGFR (0.51) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL17486820 0.83 MEN1 (0.69) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL19041486 0.82 ALDH3A1 (0.59) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL14247759 0.82 MAPK1 (0.53) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL10567565 0.82 MAPK1 (0.57) MAPK1LMNAIDO1MAPTMEN1
SCHEMBL6002470 0.80 MAPT (0.73) MAPK1LMNAIDO1MAPTMEN1

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 5 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

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 MAPK1 662/4885LMNA 1895/4885IDO1 372/4885

“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.