SCHEMBL3040192

SCHEMBL3040192

Cc1ccc([N+](=O)[O-])c(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.51
CTSH P09668 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1135629 0.79 CTSB (0.54) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL30810188 0.79 CTSB (0.54) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL40986 0.79 TDP1 (0.38) ALDH1A1MAPTTSHRCYP3A4TDP1
SCHEMBL29518366 0.79 TDP1 (0.38) ALDH1A1MAPTTSHRCYP3A4TDP1
Methylamine SCHEMBL6028022 0.78 TSHR (0.38) CTSBCTSHALDH1A1MAPTRAB9A
SCHEMBL136263 0.78 CTSB (0.53) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL801581 0.78 CTSB (0.62) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL30574931 0.78 CTSB (0.53) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL30890730 0.78 CTSB (0.53) CTSBCTSHALDH1A1SMN1; SMN2MAPT
SCHEMBL9982714 0.78 CTSB (0.53) CTSBCTSHALDH1A1SMN1; SMN2MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143108-B 8-bromo-2-methylbenzofuran [2,3-b ] pyridine and synthetic method 蒲城欧得新材料有限公司 2024-03-19 CN disclosed
CN-117143108-A 8-bromo-2-methylbenzofuran [2,3-b ] pyridine and synthetic method 蒲城欧得新材料有限公司 2023-12-01 CN disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 US disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP disclosed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
CN-101687865-A A regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN disclosed
CN-101687815-A Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 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 (3 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB CTSB 2088/4885CTSH 3570/4885ALDH1A1 97/4885
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D CTSB 2730/4885CTSH 2472/4885ALDH1A1 24/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH CTSB 3308/4885CTSH 3580/4885ALDH1A1 107/4885

“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.