SCHEMBL26813159

SCHEMBL26813159

Cc1ccccc1Oc1nc(C(C)C)nc2c1CCc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ KDM4E B2RXH2 8/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH4 Q9H3N8 3/20 0.36

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
SCHEMBL24287240 0.85 MAPT (0.42) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL24287411 0.82 HRH4 (0.51) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL26813118 0.71 ACHE (0.36) MEN1KMT2AL3MBTL1HPGDBCHE
SCHEMBL26813286 0.70 BCHE (0.38) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL26813087 0.70 ACHE (0.35) MEN1KMT2AHPGDBCHEACHE
SCHEMBL26813085 0.70 ACHE (0.35) MEN1KMT2AHPGDBCHEACHE
SCHEMBL19700977 0.67 BCHE (0.53) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL20609546 0.67 KDM4E (0.59) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL19317602 0.64 KMT2A (0.50) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL13200326 0.62 DYRK1A (0.50) LMNAMAPTMEN1KMT2AHPGD

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 LMNA 3948/4885MAPT 4871/4885MEN1 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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