SCHEMBL451810

SCHEMBL451810

NCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
KEAP1 Q14145 1/20 0.57
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TBXA2R P21731 1/20 0.54
PRMT1 Q99873 1/20 0.54
TPSAB1 Q15661 1/20 0.54
GBA1 P04062 2/20 0.53
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51

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
Hydrochloric Acid SCHEMBL5015149 0.98 CYP3A4 (0.67) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL6437093 0.88 ALDH1A1 (0.75) CYP3A4ALDH1A1KDM4ELMNAPKM
Hydrochloric Acid SCHEMBL29141937 0.87 CYP3A4 (0.64) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL8349568 0.87 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1580262 0.87 CYP3A4 (0.54) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL6671584 0.86 ALDH1A1 (0.79) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL11649813 0.85 ALDH1A1 (0.82) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL11807867 0.85 ALDH1A1 (0.82) CYP3A4ALDH1A1KDM4ELMNAPKM
SCHEMBL11623917 0.85 ALDH1A1 (0.82) CYP3A4ALDH1A1KDM4ELMNAPKM
Hydrochloric Acid SCHEMBL11628667 0.83 ALDH1A1 (0.79) CYP3A4ALDH1A1KDM4ELMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114235990-B Tuberculosis serum marker screening method and application 宁夏医科大学 2024-11-26 CN claimed
EP-3483166-B1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA INST SCI & TECH (KR) 2023-11-01 EP claimed
EP-3845539-B1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA INST SCI & TECH (KR) 2022-11-16 EP claimed
CN-114235990-A Tuberculosis serum marker screening method and application 宁夏医科大学 2022-03-25 CN claimed
CN-109689659-B Imidazooxazole derivative having anti-tumor effect and pharmaceutical composition comprising the same 韩国科学技术研究院 2022-01-28 CN claimed
CN-113121564-A Imidazooxazole derivative having anti-tumor effect and pharmaceutical composition comprising the same 韩国科学技术研究院 2021-07-16 CN claimed
EP-3845539-A1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Korea Institute of Science and Technology (KR) 2021-07-07 EP claimed
US-20200131199-A1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-04-30 US claimed
US-10570155-B2 Imidazooxazole derivative having antitumor effect, and pharmaceutical composition including same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-02-25 US claimed
CN-110256345-A A kind of preparation method of gliquidone intermediate 天津药物研究院药业有限责任公司 2019-09-20 CN claimed
CN-106699658-B Method for preparing gliquidone intermediate 天津药物研究院药业有限责任公司 2019-06-25 CN claimed
CN-109761944-A A kind of chrysin amide derivatives and preparation method thereof and medical usage 武汉翼博济生生物科技有限公司 2019-05-17 CN claimed
EP-3483166-A1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Korea Institute of Science and Technology (KR) 2019-05-15 EP claimed
CN-109689659-A Imidazo oxazole derivatives with antitumous effect and the pharmaceutical composition including it 韩国科学技术研究院 2019-04-26 CN claimed
CN-106699658-A Method for preparing gliquidone intermediate 天津药物研究院药业有限责任公司 2017-05-24 CN claimed
CN-106397339-A Preparation method of 2-[4-aminosulfonyl-phenyl]-ethyl-5-methylpyrazine formamide 天津市亨必达化学合成物有限公司 2017-02-15 CN claimed
EP-0783366-B1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME UNIV MASSEY (NZ) 2004-08-18 EP claimed
US-5652348-A SOLID SUPPORT MATRIX, IONIZABLE LIGANDS SELECTED RELATIVE TO TARGET COMPOUND MASSEY UNIVERSITY (NZ) 1997-07-29 US claimed
EP-0783366-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1997-07-16 EP claimed
WO-1996009116-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1996-03-28 WO claimed

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-20200131199-A1 IMIDAZOOXAZOLE DERIVATIVE HAVING ANTITUMOR EFFECT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME TPMT, MYD88, IDO1 CYP3A4 92/4885ALDH1A1 1785/4885KDM4E 1471/4885
US-10570155-B2 Imidazooxazole derivative having antitumor effect, and pharmaceutical composition including same TPMT, MYD88, IDO1 CYP3A4 92/4885ALDH1A1 1785/4885KDM4E 1471/4885

“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.