SCHEMBL4404522

SCHEMBL4404522

NNc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
ALDH3A1 P30838 2/20 0.44
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
VCAM1 P19320 1/20 0.41
HTR6 P50406 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7380541 0.85 LMNA (0.56) MAPTALDH1A1POLBHIF1AMEN1
SCHEMBL29702837 0.82 TSHR (0.50) TDP1ATMMAPTALDH1A1POLB
SCHEMBL28165237 0.82 TSHR (0.50) TDP1ATMMAPTALDH1A1POLB
SCHEMBL2561000 0.81 ATM (0.58) TDP1ATMMAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL28375819 0.81 TSHR (0.48) TDP1ATMMAPTALDH1A1POLB
SCHEMBL10437967 0.80 ATM (0.56) TDP1ATMMAPTALDH1A1POLB
SCHEMBL12287011 0.79 TDP1 (0.60) TDP1MAPTALDH1A1POLBMEN1
SCHEMBL9297681 0.78 GPR35 (0.56) TDP1MAPTALDH1A1POLBHIF1A
SCHEMBL1830783 0.78 TSHR (0.58) TDP1MAPTALDH1A1POLBMEN1
SCHEMBL1828950 0.78 ALDH1A1 (0.58) ATMMAPTALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151359-A1 TETRAHYDROCARBAZOLE DERIVATIVE AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 深圳湾实验室 2023-08-17 WO disclosed
CN-114560804-A Tetrahydrocarbazole derivative and preparation method and application thereof 深圳湾实验室 2022-05-31 CN disclosed
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
CN-1304371-C Heterocyclically substituted benzoylureas, medicaments thereof and use for producing medicaments AVENTIS PHARMA GMBH (DE) 2007-03-14 CN disclosed
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-25 US disclosed
US-7138414-B2 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
CN-1261419-C Substituted 3-phenyl-5-alkoxi-1,3,4-oxdiazol-2-one and use thereof for inhibiting hormone-sensitive lipase AVENTIS PHARMA DENTSCHLAND GMD (DE) 2006-06-28 CN disclosed
CN-1668593-A Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2005-09-14 CN disclosed
EP-1523475-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
EP-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 US disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 WO disclosed
CN-1416424-A Substituted 3-phenyl-5-alkoxi-1,3,4-oxdiazol-2-one and use thereof for inhibiting hormone-sensitive lipase AVENTIS PHARMA DENTSCHLAND GMD (DE) 2003-05-07 CN disclosed
EP-1263745-A1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US disclosed
WO-2001066531-A1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-13 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 (4 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-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SLC5A2, CYP1A2, HBB TDP1 3078/4885ATM 3758/4885MAPT 4315/4885
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals CNR1, PTGER1, CNR2 TDP1 3897/4885ATM 4879/4885MAPT 4852/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 TDP1 2188/4885ATM 3758/4885MAPT 4316/4885
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE TDP1 596/4885ATM 4360/4885MAPT 4762/4885

“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.