SCHEMBL26607211

SCHEMBL26607211

COc1nccc2[nH]c(-c3ccc(C(C)(C)C)cc3C)cc(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.34
▸ CYP26A1 O43174 1/20 0.33
▸ CYP26B1 Q9NR63 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ DRD1 P21728 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
SCHEMBL26607306 0.88 KCNJ5 (0.35) KDM5AKDM4CKDM5BLRRK2CYP26A1
SCHEMBL26743548 0.87 CYP26A1 (0.35) KDM5AKDM4CKDM5BCYP26A1CYP26B1
SCHEMBL26607006 0.84 KDM4E (0.46) —
SCHEMBL26606996 0.84 SCN10A (0.33) CYP26A1CYP26B1
SCHEMBL26606889 0.84 KIF11 (0.37) KDM5AKDM4CKDM5BCYP26A1CYP26B1
SCHEMBL26606951 0.84 KCNJ5 (0.34) KDM5AKDM4CKDM5BLRRK2
SCHEMBL26607182 0.83 KDM4E (0.35) CYP26A1CYP26B1DRD1
SCHEMBL26725678 0.82 CYP26A1 (0.39) KDM5AKDM4CKDM5BCYP26A1CYP26B1
SCHEMBL26607293 0.81 CYP26A1 (0.34) KDM5AKDM4CKDM5BCYP26A1CYP26B1
SCHEMBL26607146 0.81 CYP26A1 (0.36) KDM5AKDM4CKDM5BLRRK2CYP26A1

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
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KDM5A 4611/4885KDM4C 4549/4885KDM5B 4497/4885

“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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