SCHEMBL24310352

SCHEMBL24310352

COCc1ccccc1-c1cc(Oc2ccccc2C)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PGR P06401 1/20 0.41
▸ NFKBIA P25963 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AR P10275 1/20 0.41
▸ EDNRA P25101 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EDNRB P24530 1/20 0.39
▸ DDX3X O00571 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39

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
SCHEMBL29566551 1.00 LMNA (0.44) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL24309260 0.90 LMNA (0.49) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL29566397 0.90 LMNA (0.49) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL29567154 0.89 PGR (0.52) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL24309297 0.89 PGR (0.52) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL24309706 0.89 LMNA (0.42) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL29566936 0.86 SMN1; SMN2 (0.40) ALDH1A1PGRMAPTTDP1F2
SCHEMBL24310351 0.86 SMN1; SMN2 (0.40) ALDH1A1PGRMAPTTDP1F2
SCHEMBL24309251 0.82 LMNA (0.52) LMNAALDH1A1KDM4EPGRNFKBIA
SCHEMBL29566909 0.82 LMNA (0.52) LMNAALDH1A1KDM4EPGRNFKBIA

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 4052/4885ALDH1A1 3992/4885KDM4E 4141/4885

“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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