SCHEMBL29566336

SCHEMBL29566336

CN1CCN(c2ccc(Oc3cc(Cl)nc(NS(=O)(=O)c4cnn(C)c4)n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ BRD4 O60885 8/20 0.40
▸ MET P08581 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ FGFR4 P22455 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL24309631 1.00 DGAT2 (0.42) DGAT2ALDH1A1BRD4METRAD52
SCHEMBL29567157 0.91 LTA4H (0.41) HTR6EGFR
SCHEMBL24309513 0.91 LTA4H (0.41) HTR6EGFR
SCHEMBL26826527 0.86 HRH1 (0.42) ALDH1A1BRD4RAD52HTR6HTR1A
SCHEMBL29567227 0.85 MAP4K1 (0.43) DGAT2BRD4RAD52HTR6HTR1A
SCHEMBL24310343 0.85 MAP4K1 (0.43) DGAT2BRD4RAD52HTR6HTR1A
SCHEMBL24309624 0.85 TSHR (0.43) ALDH1A1HTR1AHTR7EGFRHPGD
SCHEMBL29566752 0.85 TSHR (0.43) ALDH1A1HTR1AHTR7EGFRHPGD
SCHEMBL26807760 0.84 LTA4H (0.48) HTR6HTR2C
SCHEMBL26810000 0.82 MAP4K1 (0.41) DGAT2BRD4RAD52HTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DGAT2 688/4885ALDH1A1 3992/4885BRD4 1716/4885

“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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