SCHEMBL26813109

SCHEMBL26813109

CC(C)c1nc2ccccc2nc1Oc1ccccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ P2RY1 P47900 17/20 0.38
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ P2RY14 Q15391 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL26813123 0.80 ALDH1A1 (0.46) TP53ALDH1A1
SCHEMBL24287256 0.80 L3MBTL1 (0.45) MAPTTP53P2RY1ALDH1A1
SCHEMBL8024194 0.73 NQO2 (0.44) MAPTTDP1ALDH1A1
SCHEMBL26813105 0.72 HSP90AA1 (0.39) MAPTATMALDH1A1
SCHEMBL30500977 0.72 ALDH1A1 (0.48) MAPTTP53P2RY1ATMTDP1
SCHEMBL127278 0.72 ALDH1A1 (0.48) MAPTTP53P2RY1ATMTDP1
SCHEMBL789181 0.72 KDM4E (0.51) MAPTATMALDH1A1
SCHEMBL26813125 0.72 GAA (0.51) MAPTTDP1
SCHEMBL13150847 0.70 MAPT (0.53) MAPTTP53ATMTDP1ALDH1A1
SCHEMBL26813126 0.70 CRHR1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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 (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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAPT 4871/4885TP53 3754/4885P2RY1 585/4885

“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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