SCHEMBL2818968

SCHEMBL2818968

NC(CCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
GRM8 O00222 4/20 0.55
GRM4 Q14833 4/20 0.55
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPRA P18433 1/20 0.47
KMO O15229 1/20 0.46

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
SCHEMBL9755057 0.96 CYP1A2 (0.57) CYP1A2GRM8GRM4ALDH1A1TDP1
SCHEMBL28064736 0.84 CYP1A2 (0.45) CYP1A2GRM8GRM4ALDH1A1TDP1
SCHEMBL31710991 0.84 CYP1A2 (0.53) CYP1A2GRM8GRM4PTPRA
SCHEMBL1817774 0.83 CYP1A2 (0.61) CYP1A2GRM8GRM4ALDH1A1TDP1
SCHEMBL30959758 0.83 CYP1A2 (0.61) CYP1A2GRM8GRM4ALDH1A1TDP1
SCHEMBL1817775 0.83 CYP1A2 (0.61) CYP1A2GRM8GRM4ALDH1A1TDP1
SCHEMBL10891708 0.81 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1
2,4-Dinitrophenol SCHEMBL7081417 0.81 ALDH1A1 (0.56) GRM8GRM4ALDH1A1PTPRA
SCHEMBL21518512 0.81 GRM8 (0.63) CYP1A2GRM8GRM4KMO
SCHEMBL9116030 0.81 GRM8 (0.63) CYP1A2GRM8GRM4KMO

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
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2026-05-19 US disclosed
US-20240409544-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS DREXEL UNIVERSITY 2024-12-12 US disclosed
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2024-11-26 US disclosed
CN-108220406-B Method for detecting nucleic acid sequence variants 生物概念股份有限公司 2022-09-30 CN disclosed
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 US disclosed
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2022-03-08 US disclosed
CN-107523616-B Assay for detecting genetic abnormalities in genomic nucleic acids 奎斯特诊断投资公司 2021-05-25 CN disclosed
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 US disclosed
US-20190316169-A1 METHODS, COMPOSITIONS, AND KITS FOR DETECTING A CELL IN A SAMPLE SONANUTECH INC. (US) 2019-10-17 US disclosed
US-20190271693-A1 METHODS, COMPOSITIONS, AND KITS FOR DETECTING BACTERIOPHAGE IN A SAMPLE SONANUTECH INC. (US) 2019-09-05 US disclosed
WO-2018098404-A1 METHODS, COMPOSITIONS, AND KITS FOR DETECTING A CELL IN A SAMPLE SONANUTECH INC. (US) 2018-05-31 WO disclosed
WO-2018098402-A1 METHODS, COMPOSITIONS, AND KITS FOR DETECTING BACTERIOPHAGE IN A SAMPLE SONANUTECH INC. (US) 2018-05-31 WO disclosed
CN-103635593-B Method for detecting Nucleic acid sequence variants 生物概念股份有限公司 2018-03-20 CN disclosed
CN-102574677-B Silica nanoparticles incorporating chemiluminescent and absorbing active molecules UNIV CORNELL 2015-03-18 CN disclosed
WO-2010121066-A2 SILICA NANOPARTICLES INCORPORATING CHEMILUMINESCENT AND ABSORBING ACTIVE MOLECULES CORNELL RESEARCH FOUNDATION, INC. (US) 2010-10-21 WO disclosed
WO-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 WO disclosed
US-20100092470-A1 ANTIBODIES, ANALOGS AND USES THEREOF ICB INTERNATIONAL, INC. 2010-04-15 US disclosed
WO-2010033913-A1 ANTIBODIES, ANALOGS AND USES THEREOF ICB INTERNATIONAL, INC. (US) 2010-03-25 WO disclosed
US-7514400-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-04-07 US disclosed
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2006-10-12 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 (8 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-20240409544-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 CYP1A2 1744/4885GRM8 466/4885GRM4 218/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 CYP1A2 1744/4885GRM8 466/4885GRM4 218/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 CYP1A2 3478/4885GRM8 1024/4885GRM4 545/4885
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 CYP1A2 1625/4885GRM8 511/4885GRM4 194/4885
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 CYP1A2 4713/4885GRM8 316/4885GRM4 384/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 CYP1A2 2851/4885GRM8 654/4885GRM4 404/4885
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 CYP1A2 1769/4885GRM8 451/4885GRM4 212/4885
US-20100092470-A1 ANTIBODIES, ANALOGS AND USES THEREOF IGLV6-57, IGSF11, FCGR3B CYP1A2 4855/4885GRM8 2723/4885GRM4 2121/4885

“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.