SCHEMBL23285670

SCHEMBL23285670

N#Cc1c(O)c(Cl)c[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ UPP1 Q16831 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ DPYD Q12882 1/20 0.33

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
SCHEMBL9453387 0.73 KDM4E (0.35) MCL1KDM4EHPGD
SCHEMBL10728222 0.69 DAO (0.42) DAOKDM4EHPGDUPP1
SCHEMBL845977 0.68 KDM5A (0.35) KDM5AKDM5CKDM5BMCL1UPP1
SCHEMBL19712290 0.66 KDM4E (0.33) KDM5AKDM5CKDM5BKDM4EHPGD
SCHEMBL13906254 0.64 MCL1 (0.44) DAOKDM5AKDM5CKDM5BMCL1
SCHEMBL1573448 0.64 MEN1 (0.50) KDM4EHPGD
SCHEMBL29842862 0.64 MEN1 (0.50) KDM4EHPGD
SCHEMBL12974187 0.63 HTT (0.40) ADRA1AMCL1KDM4E
SCHEMBL27564163 0.63 ALDH1A1 (0.41) ADRA1AMCL1KDM4EHPGD
SCHEMBL9670330 0.62 DAO (0.35) ADRA1ADAOHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2023-04-27 — — US disclosed
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2023-04-27 — — US disclosed
WO-2021077194-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2021-04-29 — — 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-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF BAD, BAX, PDCD4 ADRA1A 2788/4885DAO 4001/4885KDM5A 4482/4885

“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.

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