SCHEMBL2248642

SCHEMBL2248642

CNc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.77
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.63
CDC25B P30305 1/20 0.56
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL27111058 0.87 HCAR3 (0.58) HCAR3CASP6TSHRCDC25BMEN1
SCHEMBL321911 0.87 HCAR3 (1.00) HCAR3CASP6TSHRCDC25BMEN1
Hydrochloric Acid SCHEMBL321637 0.85 HCAR3 (0.97) HCAR3CASP6TSHRCDC25BMEN1
SCHEMBL27944435 0.85 HCAR3 (0.56) HCAR3TSHRCDC25BLMNAKMT2A
SCHEMBL2250519 0.85 HCAR3 (0.56) HCAR3CASP6TSHRCDC25BLMNA
SCHEMBL4488089 0.84 CASP6 (0.60) HCAR3CASP6TSHRLMNAMEN1
SCHEMBL223175 0.84 VCAM1 (0.57) HCAR3CDC25BLMNAKMT2A
SCHEMBL29557079 0.84 VCAM1 (0.57) HCAR3CDC25BLMNAKMT2A
SCHEMBL18562551 0.83 HCAR3 (0.54) HCAR3CASP6TSHRCDC25BLMNA
Hydrochloric Acid SCHEMBL7428031 0.81 HCAR3 (0.76) HCAR3CASP6TSHRMEN1KMT2A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-01-12 US disclosed
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2021-01-07 US disclosed
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2020-05-14 US disclosed
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-06-27 US disclosed
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
WO-2003076432-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-18 WO disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
CN-1251579-A Compound and compositions for treating diseases associated with serine protease, particularly tryptase, activity AXYS PHARM CORP (US) 2000-04-26 CN disclosed
WO-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 WO disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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 (12 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885CASP6 2190/4885TSHR 3357/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN HCAR3 1803/4885CASP6 2190/4885TSHR 3357/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885CASP6 2190/4885TSHR 3357/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN HCAR3 1984/4885CASP6 2601/4885TSHR 3389/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885CASP6 2190/4885TSHR 3357/4885
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GOT2, GLS2, PYGL HCAR3 1122/4885CASP6 1926/4885TSHR 3540/4885
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, UACA HCAR3 1540/4885CASP6 1981/4885TSHR 2574/4885
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 HCAR3 1002/4885CASP6 842/4885TSHR 4233/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL HCAR3 1122/4885CASP6 1926/4885TSHR 3540/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HCAR3 1204/4885CASP6 2044/4885TSHR 4214/4885
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, UACA HCAR3 1540/4885CASP6 1981/4885TSHR 2574/4885
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN HCAR3 1803/4885CASP6 2190/4885TSHR 3357/4885

“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.