SCHEMBL3445247

SCHEMBL3445247

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 2/20 0.40
PTPN1 P18031 1/20 0.39
HTT P42858 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
SCHEMBL30952855 1.00 RAPGEF3 (0.47) RAPGEF3ALDH1A1LMNAMAPTKDM4E
SCHEMBL17935270 0.90 MAPT (0.51) RAPGEF3ALDH1A1MAPTKDM4ENPC1
SCHEMBL1732950 0.86 NPC1 (0.58) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL31472484 0.85 PTGS2 (0.53) RAPGEF3ALDH1A1LMNAMAPTKDM4E
SCHEMBL6986185 0.85 PTGS2 (0.53) RAPGEF3ALDH1A1LMNAMAPTKDM4E
SCHEMBL20982550 0.83 MAPT (0.48) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL16408222 0.83 MAPT (0.54) RAPGEF3ALDH1A1LMNAMAPTKDM4E
SCHEMBL30680765 0.83 MAPT (0.54) RAPGEF3ALDH1A1LMNAMAPTKDM4E
SCHEMBL1941520 0.82 NPC1 (0.41) RAPGEF3ALDH1A1LMNAMAPTNPC1
SCHEMBL27399229 0.82 MAPT (0.43) ALDH1A1LMNAMAPTNPC1RAB9A

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
EP-4630414-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2025-10-15 EP disclosed
EP-4630415-A1 TARGETED PROTEIN DEGRADATION USING PRODRUGS OF BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2025-10-15 EP disclosed
WO-2024121259-A1 TARGETED PROTEIN DEGRADATION USING PRODRUGS OF BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 WO disclosed
WO-2024121256-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 WO disclosed
EP-3298022-B1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2019-06-05 EP disclosed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
WO-2017028927-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 WO disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 US disclosed
WO-2016113169-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
US-7816540-B2 Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-10-19 US disclosed
EP-2225221-A2 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-08 EP disclosed
WO-2009080555-A2 CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-06-25 US 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 (5 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X RAPGEF3 4414/4885ALDH1A1 2197/4885LMNA 284/4885
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC RAPGEF3 1788/4885ALDH1A1 113/4885LMNA 4370/4885
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, HRH4 RAPGEF3 4382/4885ALDH1A1 1331/4885LMNA 1253/4885
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC RAPGEF3 1617/4885ALDH1A1 144/4885LMNA 4306/4885
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, GPBAR1, SLC10A1 RAPGEF3 2628/4885ALDH1A1 352/4885LMNA 4664/4885

“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.