SCHEMBL5578038

SCHEMBL5578038

O=[N+]([O-])c1cn(C2CCCCO2)nc1CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
ABL1 P00519 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 7/20 0.31
KMT2A Q03164 4/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL18421834 0.88 ALDH1A1 (0.33) HCAR3ABL1CD274HPGDCYP1A2
SCHEMBL21854406 0.88 CYP1A2 (0.33) HCAR3ABL1CD274HPGDCYP1A2
SCHEMBL29259924 0.85 CYP1A2 (0.31) HCAR3ABL1HPGDCYP1A2
SCHEMBL29259455 0.84 MEN1 (0.35) HPGDCYP1A2ALDH1A1KMT2AMAPT
SCHEMBL13375094 0.82 ALDH1A1 (0.36) HCAR3ABL1CD274HPGDALDH1A1
SCHEMBL20641237 0.81 GAA (0.37) ABL1HPGDCYP1A2ALDH1A1KMT2A
SCHEMBL22207434 0.81 CYP1A2 (0.35) HCAR3ABL1CD274HPGDCYP1A2
SCHEMBL9912468 0.80 CYP1A2 (0.35) ABL1CD274HPGDCYP1A2ALDH1A1
SCHEMBL2804353 0.80 HCAR3 (0.38) HCAR3ABL1CD274ALDH1A1KMT2A
SCHEMBL3576511 0.80 ALDH1A1 (0.40) HCAR3ABL1HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 CN disclosed
CN-118063457-A Pyridone compounds, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-05-24 CN disclosed
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-12-01 US disclosed
CN-113195441-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2021-07-30 CN disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 US disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (7 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HCAR3 3093/4885ABL1 55/4885CD274 4429/4885
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 HCAR3 140/4885ABL1 2281/4885CD274 4226/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR3 3436/4885ABL1 63/4885CD274 3889/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 HCAR3 140/4885ABL1 2281/4885CD274 4226/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 HCAR3 140/4885ABL1 2281/4885CD274 4226/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 HCAR3 3470/4885ABL1 511/4885CD274 1156/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 HCAR3 140/4885ABL1 2281/4885CD274 4226/4885

“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.