SCHEMBL27148261

SCHEMBL27148261

COC(=O)c1ccncc1C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
GLA P06280 2/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 2/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 4/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL30062430 1.00 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL26101589 0.93 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL31351667 0.93 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL29416299 0.90 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA
SCHEMBL68952 0.90 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA
SCHEMBL31039558 0.85 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL2120360 0.85 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL28317597 0.84 TDP1 (0.50) KDM4EALDH1A1GLAGAALMNA
SCHEMBL8872501 0.84 ALDH1A1 (0.67) KDM4EALDH1A1GLAGAALMNA
SCHEMBL3459640 0.84 KDM4E (0.62) KDM4EALDH1A1GLAGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 US disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 US disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 US disclosed
CN-117897370-A Heterocyclic compounds and their use 凯悦施那有限公司 2024-04-16 CN disclosed
EP-4326696-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kayothera Inc. (US) 2024-02-28 EP disclosed
WO-2022226383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2022-10-27 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 (3 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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 KDM4E 1311/4885ALDH1A1 4/4885GLA 2092/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 KDM4E 1311/4885ALDH1A1 4/4885GLA 2092/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 KDM4E 1710/4885ALDH1A1 13/4885GLA 2203/4885

“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.