SCHEMBL29649082

SCHEMBL29649082

O=C(Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.71
TUBB P07437 1/20 0.71
TUBA3C P0DPH7 1/20 0.71
TUBA1B P68363 1/20 0.71
TUBA4A P68366 1/20 0.71
TUBB4B P68371 1/20 0.71
TUBB3 Q13509 1/20 0.71
TUBB2A Q13885 1/20 0.71
TUBB8 Q3ZCM7 1/20 0.71
TUBA3E Q6PEY2 1/20 0.71
TUBA1A Q71U36 1/20 0.71
TUBA1C Q9BQE3 1/20 0.71
TUBB6 Q9BUF5 1/20 0.71
TUBB2B Q9BVA1 1/20 0.71
TUBB1 Q9H4B7 1/20 0.71
ADORA1 P30542 2/20 0.67
ALDH1A1 P00352 5/20 0.63
HPGD P15428 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 2/20 0.59

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
SCHEMBL3166384 0.92 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28516015 0.92 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28511887 0.92 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28510684 0.92 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3854264 0.89 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28510661 0.89 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3851419 0.88 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28520391 0.87 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14524533 0.85 ADORA1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28512721 0.85 ADORA1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145174-A1 Systems and Methods Related to Electrical Stimulation of Mammalian Meridians NINURTA INC (US) 2023-05-11 US claimed
CN-108883191-B Antibody-conjugates with improved therapeutic index for targeting CD30 tumors and methods for improving the therapeutic index of antibody-conjugates 西纳福克斯股份有限公司 2022-10-14 CN claimed
EP-4615309-A1 METHODS AND APPARATUS FOR ELECTRO-MERIDIAN DIAGNOSTICS Ninurta Inc. (US) 2025-09-17 EP disclosed
CN-115279730-B 2, 5-Or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group, useful as medicaments OM药物公司 2025-02-14 CN disclosed
EP-4118069-B1 PARA-HYDROQUINONE DERIVATIVES AS VEGF, TNF AND/OR IL INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATORY DISEASES OM PHARMA SA (CH) 2024-10-23 EP disclosed
CN-114656573-B Deimmunized shiga toxin a subunit scaffolds and cell targeting molecules comprising the same 分子模板公司 2024-09-27 CN disclosed
US-12070444-B2 Modulation of molecular markers using S-equol BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-27 US disclosed
CN-114436955-B Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2024-08-09 CN disclosed
WO-2024155338-A1 METHODS AND APPARATUS FOR ELECTRO-MERIDIAN DIAGNOSTICS NINURTA INC. (US) 2024-07-25 WO disclosed
EP-4251281-A1 MODULATION OF MOLECULAR MARKERS USING S-EQUOL Li, Rong (US) 2023-10-04 EP disclosed
US-20230293882-A1 APPARATUS AND METHOD FOR TREATMENT OF NOCTURNAL ENURESIS HOWE ADAM SHATTUCK (US) 2023-09-21 US disclosed
US-20220281926-A1 DE-IMMUNIZED, SHIGA TOXIN A SUBUNIT SCAFFOLDS AND CELL-TARGETING MOLECULES COMPRISING THE SAME ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2022-09-08 US disclosed
WO-2022115582-A9 MODULATION OF MOLECULAR MARKERS USING S-EQUOL LI RONG (US) 2022-08-18 WO disclosed
CN-114656573-A Deimmunized shiga toxin a subunit scaffolds and cell targeting molecules comprising them 分子模板公司 2022-06-24 CN disclosed
US-11365223-B2 De-immunized, Shiga toxin a subunit scaffolds and cell-targeting molecules comprising the same MOLECULAR TEMPLATES, INC. (US) 2022-06-21 US disclosed
WO-2022115582-A1 MODULATION OF MOLECULAR MARKERS USING S-EQUOL LI RONG (US) 2022-06-02 WO disclosed
CN-114565896-A Cross-layer fusion improved YOLOv4 road target recognition algorithm 西安电子科技大学 2022-05-31 CN disclosed
US-20220160678-A1 MODULATION OF MOLECULAR MARKERS USING S-EQUOL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-26 US disclosed
CN-107849096-B Deimmunized shiga toxin a subunit scaffolds and cell targeting molecules comprising them 分子模板公司 2022-05-24 CN disclosed
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 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-20220160678-A1 MODULATION OF MOLECULAR MARKERS USING S-EQUOL BRCA1, ESRRG, ESR1 TUBB4A 1913/4885TUBB 1574/4885TUBA3C 2565/4885
US-12070444-B2 Modulation of molecular markers using S-equol BRCA1, ESRRG, ESR1 TUBB4A 1913/4885TUBB 1574/4885TUBA3C 2565/4885

“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.