SCHEMBL9995235

SCHEMBL9995235

O=[N+]([O-])c1ccccc1Nc1ccc(Br)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
PKM P14618 3/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CASP7 P55210 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIK3CA P42336 1/20 0.44
EPAS1 Q99814 1/20 0.44
NPC1 O15118 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL3845592 0.82 AHR (0.61) KMT2AMEN1PKMMAPK1TDP1
SCHEMBL4946668 0.82 KDM4E (0.60) KMT2AMEN1PKMPOLBMAPK1
SCHEMBL4940849 0.79 MAPT (0.48) KMT2AMEN1PKMMAPK1TDP1
SCHEMBL16634686 0.79 HCAR3 (0.58) KMT2AMEN1PKMPOLBMAPK1
SCHEMBL16634682 0.79 HCAR3 (0.58) KMT2AMEN1PKMPOLBMAPK1
SCHEMBL29744982 0.78 MEN1 (0.71) KMT2AMEN1PKMMAPK1TDP1
SCHEMBL4810409 0.78 MEN1 (0.71) KMT2AMEN1PKMMAPK1TDP1
SCHEMBL21756591 0.78 KMT2A (0.53) KMT2AMEN1PKMPOLBMAPK1
SCHEMBL31047222 0.78 KMT2A (0.53) KMT2AMEN1PKMPOLBMAPK1
SCHEMBL2094245 0.78 AKR1C3 (0.51) KMT2AMEN1PKMMAPK1TDP1

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 7 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
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 KMT2A 1942/4885MEN1 747/4885PKM 1229/4885

“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.