SCHEMBL27136141

SCHEMBL27136141

CCOC(=O)C1=C(CC)NN=CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADORA2B P29275 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34

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
SCHEMBL20654739 0.69 KDM4E (0.67) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL21950917 0.68 KDM4E (0.53) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL5608026 0.65 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL9548196 0.65 KDM4E (0.72) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL13112337 0.65 MEN1 (0.42) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL29255429 0.65 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL9631901 0.65 KDM4E (0.50) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL8966027 0.63 KDM4E (0.52) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL9513823 0.62 MEN1 (0.51) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL29150933 0.62

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 MEN1 2426/4885KMT2A 1630/4885KDM4E 1311/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 MEN1 2426/4885KMT2A 1630/4885KDM4E 1311/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 MEN1 1153/4885KMT2A 1948/4885KDM4E 1710/4885

“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.