SCHEMBL26813118

SCHEMBL26813118

Cc1ccccc1Oc1nc(C(C)C)nc2c1CCCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.36
▸ BCHE P06276 3/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SLC6A3 Q01959 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL24287268 0.85 TP53 (0.40) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL29516197 0.82 ACHE (0.42) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL24287332 0.82 ACHE (0.42) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL26813089 0.82 ACHE (0.35) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL26813085 0.77 ACHE (0.35) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL26813087 0.77 ACHE (0.35) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL26813159 0.71 LMNA (0.39) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL24287460 0.70 EEF2K (0.32) —
SCHEMBL24287263 0.68 TP53 (0.40) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL24287264 0.67 ACHE (0.41) ACHEBCHEMEN1KMT2ASMN1; SMN2

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 ACHE 4824/4885BCHE 4419/4885MEN1 4707/4885

“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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