SCHEMBL2818967

SCHEMBL2818967

NC(CCCCC(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.51
GRM4 Q14833 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9755056 0.96 GRM8 (0.52) GRM8GRM4ALDH1A1MAPTCYP1A2
SCHEMBL9116030 0.85 GRM8 (0.63) GRM8GRM4CYP1A2
SCHEMBL21518512 0.85 GRM8 (0.63) GRM8GRM4CYP1A2
SCHEMBL16110126 0.84 GRM8 (0.46) GRM8GRM4ALDH1A1MAPTCYP1A2
SCHEMBL10616251 0.82 CYP1A2 (0.54) GRM8GRM4ALDH1A1MAPTCYP1A2
SCHEMBL3466061 0.80 GRM8 (0.41) GRM8GRM4ALDH1A1MAPTCYP1A2
SCHEMBL1031120 0.76 TDP1 (0.53) GRM8GRM4ALDH1A1MAPTCYP1A2
SCHEMBL7597653 0.76 GSTP1 (0.47) MEN1KMT2A
SCHEMBL4073468 0.75 CYP1A2 (0.68) ALDH1A1MAPTCYP1A2GAATDP1
SCHEMBL1139053 0.75 CYP1A2 (0.68) ALDH1A1MAPTCYP1A2GAATDP1

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 17 patents. 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
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
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-2018204370-A1 CX3CR1 SMALL MOLECULE ANTAGONISTS, AND METHODS USING SAME DREXEL UNIVERSITY (US) 2018-11-08 WO 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
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 GRM8 466/4885GRM4 218/4885ALDH1A1 2650/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 GRM8 466/4885GRM4 218/4885ALDH1A1 2650/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 GRM8 1024/4885GRM4 545/4885ALDH1A1 3776/4885
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 GRM8 511/4885GRM4 194/4885ALDH1A1 2437/4885
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 GRM8 316/4885GRM4 384/4885ALDH1A1 4719/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 GRM8 654/4885GRM4 404/4885ALDH1A1 2597/4885
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 GRM8 451/4885GRM4 212/4885ALDH1A1 2570/4885
US-20100092470-A1 ANTIBODIES, ANALOGS AND USES THEREOF IGLV6-57, IGSF11, FCGR3B GRM8 2723/4885GRM4 2121/4885ALDH1A1 1473/4885

“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.