SCHEMBL24968892

SCHEMBL24968892

COc1ncc(CC(C)=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
CYP3A4 P08684 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
SQSTM1 Q13501 2/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30851273 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19L3MBTL1CYP3A4
SCHEMBL22094445 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19L3MBTL1CYP3A4
SCHEMBL22094015 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL31309148 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL20669649 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL31309047 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL22094130 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL31308893 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL24968891 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL30851283 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 ALDH1A1 549/4885CYP1A2 2974/4885CYP2C19 1332/4885

“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.