SCHEMBL29419983

SCHEMBL29419983

OB(O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
MGLL Q99685 1/20 0.59
MKNK1 Q9BUB5 5/20 0.56
MKNK2 Q9HBH9 5/20 0.56
CYP11B2 P19099 3/20 0.52
KIF11 P52732 1/20 0.52
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ERN1 O75460 1/20 0.47
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP17A1 P05093 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 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
SCHEMBL2700324 1.00 CYP2A6 (0.60) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL28713840 0.85 SMN1; SMN2 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL29419996 0.85 SMN1; SMN2 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL28186476 0.83 CYP2A6 (0.65) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL28612539 0.83 MGLL (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL29419997 0.83 CA1 (0.53) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL28715755 0.83 CA1 (0.53) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL29360677 0.82 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CA1
SCHEMBL13907273 0.82 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN claimed
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
US-20250234703-A1 Organic Compound And Organic Light-Emitting Element Comprising Same P&H TECH CO., LTD (KR) 2025-07-17 US disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
CN-113195482-B Compound having benzoxazole ring structure and organic electroluminescent element 保土谷化学工业株式会社 2024-12-20 CN disclosed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-112805845-B Compound having azabenzoxazole ring structure and organic electroluminescent element 保土谷化学工业株式会社 2024-10-25 CN disclosed
CN-116354897-B Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2024-10-15 CN disclosed
CN-113200923-B Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2024-09-13 CN disclosed
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 CN disclosed
CN-115536633-A Compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-12-30 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-107540620-B Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2022-10-18 CN disclosed
CN-115103709-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-23 CN disclosed
CN-109790129-B Pyrene triazine derivative and application thereof in organic electronic device 广州华睿光电材料有限公司 2022-08-12 CN disclosed
CN-110431680-B Organic electroluminescent element 保土谷化学工业株式会社 2022-07-08 CN disclosed
WO-2022138107-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-06-30 WO disclosed
CN-114555566-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-05-27 CN disclosed
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN 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-20250234703-A1 Organic Compound And Organic Light-Emitting Element Comprising Same CRY2, CRY1, RBP4 CYP2A6 2454/4885ALDH1A1 584/4885CYP1A2 1101/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 CYP2A6 3954/4885ALDH1A1 3684/4885CYP1A2 4149/4885

“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.