SCHEMBL29439898

SCHEMBL29439898

O=C1Nc2ccccc2[C@@H]1c1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
IDO1 P14902 4/20 0.52
LMNA P02545 2/20 0.52
HTR2C P28335 5/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
PDE1C Q14123 1/20 0.47
AR P10275 1/20 0.46
AKT1 P31749 1/20 0.45
PDE4D Q08499 1/20 0.44
CCKBR P32239 2/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL11981441 1.00 GAA (0.55) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL11981401 0.81 GAA (0.48) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL18025752 0.76 IDO1 (0.51) ALDH1A1MAPTIDO1PDE4D
SCHEMBL9374643 0.75 IDO1 (0.59) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL9373660 0.75 IDO1 (0.59) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL9374648 0.75 IDO1 (0.59) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL9373669 0.75 IDO1 (0.59) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL3264451 0.73 ALDH1A1 (0.69) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL27791302 0.73 HTR2C (0.56) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL27727009 0.72 IDO1 (0.52) GAAALDH1A1MAPTIDO1LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531853-A2 HARNESSING IKZF:BETA-CATENIN COMPLEXES IN THE TREATMENT OF LYMPHOCYTE ASSOCIATED DISEASES OR CONDITIONS Yale University (US) 2025-04-09 EP claimed
WO-2023230507-A2 HARNESSING IKZF:BETA-CATENIN COMPLEXES IN THE TREATMENT OF LYMPHOCYTE ASSOCIATED DISEASES OR CONDITIONS YALE UNIVERSITY (US) 2023-11-30 WO claimed
CN-115569541-A Preparation method of tetrazolyl self-polymerized microporous polymer/graphene oxide mixed matrix membrane 长春工业大学 2023-01-06 CN claimed
CN-112915810-B Pollution-resistant oxygen-permeable film material and preparation method thereof 浙江高远新材料科技有限公司 2023-01-06 CN claimed
US-12638439-B2 Method of using human spheroids for drug discovery AXOSIM, INC. (US) 2026-05-26 US disclosed
EP-4531853-A2 HARNESSING IKZF:BETA-CATENIN COMPLEXES IN THE TREATMENT OF LYMPHOCYTE ASSOCIATED DISEASES OR CONDITIONS Yale University (US) 2025-04-09 EP disclosed
EP-3460863-B1 COMPOUND INCLUDING NITROGEN AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2024-04-24 EP disclosed
WO-2023230507-A2 HARNESSING IKZF:BETA-CATENIN COMPLEXES IN THE TREATMENT OF LYMPHOCYTE ASSOCIATED DISEASES OR CONDITIONS YALE UNIVERSITY (US) 2023-11-30 WO disclosed
US-20230228740-A1 METHOD OF USING HUMAN SPHEROIDS FOR DRUG DISCOVERY StemoniX Inc. (US) 2023-07-20 US disclosed
CN-109516992-B Nitrogen-containing compound and organic electroluminescent device comprising same 三星显示有限公司 2023-04-07 CN disclosed
CN-112915810-B Pollution-resistant oxygen-permeable film material and preparation method thereof 浙江高远新材料科技有限公司 2023-01-06 CN disclosed
CN-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 CN disclosed
CN-109010916-B Moldable formulations containing oxysterol in acellular tissue matrices 华沙整形外科股份有限公司 2022-03-04 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 (1 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-12638439-B2 Method of using human spheroids for drug discovery CACNA1E, PDE1B, ORAI1 GAA 4798/4885ALDH1A1 520/4885MAPT 275/4885

“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.