SCHEMBL26806595

SCHEMBL26806595

CC(C)c1ccccc1-c1cc(Cl)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ DDX3X O00571 1/20 0.44
▸ FBP1 P09467 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NFKBIA P25963 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ EDNRA P25101 1/20 0.43
▸ TYMS P04818 1/20 0.43
▸ PGR P06401 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL29566410 0.88 LMNA (0.49) LMNAALDH1A1DDX3XKMT2ANFKBIA
SCHEMBL26806638 0.88 LMNA (0.49) LMNAALDH1A1DDX3XKMT2ANFKBIA
SCHEMBL29566406 0.88 LMNA (0.49) LMNAALDH1A1DDX3XKMT2ANFKBIA
SCHEMBL26806641 0.88 LMNA (0.49) LMNAALDH1A1DDX3XKMT2ANFKBIA
SCHEMBL29567669 0.85 LMNA (0.45) LMNAALDH1A1DDX3XKMT2ANFKBIA
SCHEMBL24309269 0.84 POLB (0.43) KDM1AALDH1A1KMT2AMAPTPGR
SCHEMBL29567210 0.84 POLB (0.43) KDM1AALDH1A1KMT2AMAPTPGR
SCHEMBL29566965 0.83 LMNA (0.46) LMNAKDM1AALDH1A1DDX3XFBP1
SCHEMBL24298639 0.82 ALDH1A1 (0.60) LMNAKDM1AALDH1A1DDX3XFBP1
SCHEMBL29567052 0.82 ALDH1A1 (0.60) LMNAKDM1AALDH1A1DDX3XFBP1

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 4 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
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 LMNA 4052/4885KDM1A 4709/4885ALDH1A1 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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