SCHEMBL11090176

SCHEMBL11090176

CC(C)(C)OC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
SLC7A5 Q01650 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47

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
SCHEMBL1121892 0.86 ALOX15 (0.51) ALOX15SLC7A5CA12CA1CA2
SCHEMBL1027265 0.86 MAPT (0.59) ALOX15SLC7A5CA12CA1CA2
SCHEMBL7472823 0.86 ALOX15 (0.48) ALOX15SLC7A5CA12CA1CA2
SCHEMBL9470701 0.86 CA12 (0.50) ALOX15SLC7A5CA12CA1CA2
SCHEMBL1028144 0.86 ALOX15 (0.48) ALOX15SLC7A5CA12CA1CA2
SCHEMBL23093930 0.84 ALOX15 (0.50) ALOX15SLC7A5CA12CA1CA2
SCHEMBL355461 0.84 HDAC1 (0.51) ALOX15SLC7A5CA12CA1CA2
SCHEMBL38654909 0.84 ALOX15 (0.47) ALOX15SLC7A5CA12CA1CA2
SCHEMBL2686416 0.84 ALOX15 (0.50) ALOX15SLC7A5CA12CA1CA2
SCHEMBL27525509 0.84 CA12 (0.53) ALOX15SLC7A5CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912669-A Design, synthesis and application of antibacterial compound based on ring conformation 北京大学深圳研究生院 2022-01-11 CN claimed
CN-114890947-B Aromatic heterocyclic compound containing quinoline structural unit, and preparation method and application thereof 郑州大学 2024-07-16 CN disclosed
CN-111727186-B Biheterocyclic substituted pyridine-2 (1H) -ketone derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2022-11-08 CN disclosed
CN-114890947-A Aromatic heterocyclic compound containing quinoline structural unit and preparation method and application thereof 郑州大学 2022-08-12 CN disclosed
CN-113912669-A Design, synthesis and application of antibacterial compound based on ring conformation 北京大学深圳研究生院 2022-01-11 CN disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
CN-111727186-A Biheterocyclic substituted pyridine-2 (1H) -ketone derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-09-29 CN disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 WO disclosed
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed
US-4008243-A Antiviral thiazolinyl or thiazinyl benzimidazole esters ELI LILLY AND COMPANY (US) 1977-02-15 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 (2 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 ALOX15 4585/4885SLC7A5 2496/4885CA12 4533/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 ALOX15 4585/4885SLC7A5 2496/4885CA12 4533/4885

“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.