SCHEMBL26813089

SCHEMBL26813089

Cc1ccccc1Oc1nc(C(C)C)nc2c1C(C)(C)CCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.35
▸ BCHE P06276 3/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC6A3 Q01959 2/20 0.30
▸ 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
SCHEMBL24287263 0.85 TP53 (0.40) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL24287264 0.83 ACHE (0.41) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL26813118 0.82 ACHE (0.36) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL26813085 0.76 ACHE (0.35) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL26813087 0.76 ACHE (0.35) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL24287499 0.71 — —
SCHEMBL24287494 0.69 HTR1A (0.36) MEN1KMT2ATSHRSLC6A2SLC6A4
SCHEMBL24287268 0.69 TP53 (0.40) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL29516197 0.67 ACHE (0.42) ACHEBCHEMEN1KMT2ANPC1
SCHEMBL24287332 0.67 ACHE (0.42) ACHEBCHEMEN1KMT2ANPC1

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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