SCHEMBL9995147

SCHEMBL9995147

Nc1ccccc1Nc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.50
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
STAT1 P42224 1/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL3847392 0.79 MAPK10 (0.50) MAPK10ALDH1A1MAPTLMNAKDM4E
SCHEMBL14850474 0.79 NPC1 (0.54) MAPK10ALDH1A1MAPTLMNAKDM4E
SCHEMBL12067104 0.79 ALDH1A1 (0.46) MAPK10ALDH1A1MAPTLMNAKDM4E
SCHEMBL355054 0.77 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4943735 0.76 SYK (0.51) MAPK10ALDH1A1MAPTLMNAKDM4E
SCHEMBL10124732 0.75 MAPK10 (0.53) MAPK10ALDH1A1MAPTLMNAKDM4E
SCHEMBL31047231 0.74 NPC1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL22840676 0.74 NPC1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10188125 0.74 EGFR (0.47) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL4943709 0.74 MEN1 (0.73) MAPK10ALDH1A1MAPTLMNAKDM4E

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
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
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
CN-1272316-C Benzamides and related inhibitors of factor Xa COR THERAPEUTICS INC (US) 2006-08-30 CN disclosed
CN-1391555-A Benzamides and related inhibitors of factor Xa COR THERAPEUTICS INC (US) 2003-01-15 CN 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 MAPK10 1437/4885ALDH1A1 235/4885MAPT 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.