SCHEMBL30624911

SCHEMBL30624911

COc1ccc(C=Cc2ncco2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 7/20 0.55
▸ CYP1B1 Q16678 7/20 0.55
▸ CYP1A2 P05177 6/20 0.55
▸ AMY1A P0DUB6 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CTSA P10619 1/20 0.40
▸ NFE2L2 Q16236 5/20 0.40
▸ RELA Q04206 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL30632881 0.84 CBFB (0.39) CYP1A1CYP1B1CYP1A2MAPK1CTSA
SCHEMBL30632897 0.81 NFE2L2 (0.50) CYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL30633073 0.78 NPC1 (0.36) CYP1A2KDM4EMAPK1NFE2L2NPC1
SCHEMBL30632943 0.78 NFE2L2 (0.33) CYP1A2MAPK1NFE2L2NPC1RAB9A
SCHEMBL6471044 0.76 CYP1A2 (0.56) CYP1A1CYP1B1CYP1A2KDM4ENFE2L2
SCHEMBL6471039 0.76 CYP1A2 (0.56) CYP1A1CYP1B1CYP1A2KDM4ENFE2L2
SCHEMBL28473621 0.76 CYP1A1 (0.37) CYP1A1CYP1B1KDM4ENFE2L2EGFR
SCHEMBL30632941 0.76 HTR2A (0.38) —
SCHEMBL30632963 0.74 NFE2L2 (0.55) KDM4ENFE2L2RELANPC1RAB9A
SCHEMBL30632879 0.73 ALDH1A1 (0.39) CYP1A2AMY1ANPC1RAB9A

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-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2025-04-29 — — US disclosed
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 — — CN disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 — — US 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 (2 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 CYP1A1 1340/4885CYP1B1 1021/4885CYP1A2 1179/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 CYP1A1 1340/4885CYP1B1 1021/4885CYP1A2 1179/4885

“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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