SCHEMBL26813126

SCHEMBL26813126

Cc1cc(C)c(Oc2nc3ccccc3nc2C(C)C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.44
▸ NQO2 P16083 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 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
SCHEMBL26813105 0.88 HSP90AA1 (0.39) CRHR1NQO2SMN1; SMN2KDM4EMEN1
SCHEMBL26813125 0.84 GAA (0.51) NQO2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL24287257 0.81 SMN1; SMN2 (0.50) CRHR1NQO2SMN1; SMN2KDM4EGAA
SCHEMBL26813123 0.80 ALDH1A1 (0.46) NQO2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8024194 0.73 NQO2 (0.44) NQO2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL789181 0.72 KDM4E (0.51) NQO2KDM4EMEN1KMT2A
SCHEMBL13150847 0.70 MAPT (0.53) NQO2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5845741 0.70 CRHR1 (0.41) CRHR1
SCHEMBL26813109 0.70 MAPT (0.40) —
SCHEMBL26817460 0.68 KDM4E (0.60) KDM4EMEN1KMT2AGAAHPGD

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 CRHR1 4583/4885NQO2 1095/4885SMN1; SMN2 4844/4885

“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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