SCHEMBL26651236

SCHEMBL26651236

CSc1cc(-c2c(C)cccc2C)nc(NS(=O)(=O)c2cnn(C)c2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCR4 P51679 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL29566636 1.00 GAA (0.35) GAALMNAALDH1A1RXFP1L3MBTL1
SCHEMBL24309340 0.81 USP1 (0.31) GAALMNAALDH1A1CCR4TSHR
SCHEMBL29567059 0.81 USP1 (0.31) GAALMNAALDH1A1CCR4TSHR
SCHEMBL24310735 0.80 PIK3CD (0.39) GAAALDH1A1POLBTSHRKMT2A
SCHEMBL24310518 0.73 TSHR (0.40) GAALMNAALDH1A1TSHRKMT2A
SCHEMBL26807044 0.71 LMNA (0.56) LMNAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL24309239 0.69 CCNT1 (0.40) GAAALDH1A1POLBTSHRKMT2A
SCHEMBL26806587 0.69 TSHR (0.40) GAAALDH1A1POLBHTTTSHR
SCHEMBL29566540 0.68 BRD4 (0.37) GAALMNACCR4POLBHTT
SCHEMBL24309952 0.68 MAP4K1 (0.32) —

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 1 patent. 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

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 GAA 904/4885LMNA 4052/4885ALDH1A1 3992/4885

“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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