SCHEMBL727228

SCHEMBL727228

Cc1cccc2[nH]c(N)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 13/20 0.53
GAA P10253 13/20 0.53
SI P14410 13/20 0.53
MGAM2 Q2M2H8 13/20 0.53
NUDT1 P36639 3/20 0.51
ESR1 P03372 1/20 0.50
CBFB Q13951 1/20 0.50
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.48
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48

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
Carbamic Acid SCHEMBL6323883 0.90 ALDH1A1 (0.54) MGAMGAASIMGAM2NUDT1
SCHEMBL1170892 0.79 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL353891 0.79 PARP1 (0.56) MGAMGAASIMGAM2ESR1
SCHEMBL3287778 0.79 MEN1 (0.58) GAANUDT1MASP2MEN1ALDH1A1
SCHEMBL30291834 0.79 MEN1 (0.58) GAANUDT1MASP2MEN1ALDH1A1
Bromide SCHEMBL5318091 0.78 PARP1 (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL6139625 0.76 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL979914 0.76 NUDT1 (0.51) GAANUDT1MASP2MEN1ALDH1A1
SCHEMBL14222708 0.76 NUDT1 (0.51) MGAMGAASIMGAM2NUDT1
SCHEMBL17276019 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US claimed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
WO-2011102966-A2 QUASI-SOLID-STATE PHOTOELECTROCHEMICAL SOLAR CELL FORMED USING INKJET PRINTING AND NANOCOMPOSITE ORGANIC-INORGANIC MATERIAL BRITE HELLAS AE (GR) 2011-08-25 WO claimed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 US disclosed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 US disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
CN-106414448-B It can be used as the new compound of S100- inhibitor 活跃生物技术有限公司 2019-04-19 CN disclosed
US-20180094119-A1 METHOD OF PRODUCING AMINE ADDUCT OF CONDUCTIVE COMPOSITE, METHOD OF PRODUCING AMINE ADDUCT LIQUID OF CONDUCTIVE COMPOSITE, AND METHOD OF PRODUCING CONDUCTIVE FILM NISSIN CHEMICAL INDUSTRY CO., LTD (JP) 2018-04-05 US disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO disclosed
WO-2003000682-A1 (PYRIMIDYL)(PHENYL)SUBSTITUTED FUSED HETEROARYL P38 INHIBITING AND PKG KINASE INHIBITING COMPOUNDS MERCK & CO., INC. (US) 2003-01-03 WO disclosed
EP-1246823-A1 PYRIMIDINE AND TRIAZINE KINASE INHIBITORS PHARMACOPEIA, INC. (US) 2002-10-09 EP disclosed
WO-2001047921-A1 PYRIMIDINE AND TRIAZINE KINASE INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO disclosed
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
EP-0079859-A1 Method of bulk dyeing organic polymers CIBA-GEIGY AG (CH) 1983-05-25 EP disclosed
US-3981886-A Amino-benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1976-09-21 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 (3 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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI MGAM 132/4885GAA 1314/4885SI 2195/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI MGAM 132/4885GAA 1314/4885SI 2195/4885
US-20210128561-A1 MRGX Receptor Antagonists MRGPRX2, MRGPRX1, MRGPRX4 MGAM 1735/4885GAA 934/4885SI 2892/4885

“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.