SCHEMBL24287494

SCHEMBL24287494

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc2c1C(C)(C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PARG Q86W56 2/20 0.31
▸ EDNRA P25101 5/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL29516148 1.00 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL26813358 0.87 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29516117 0.87 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL26813338 0.82 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24287273 0.82 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29516324 0.82 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29516391 0.82 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24287499 0.80 — —
SCHEMBL26810510 0.76 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309827 0.76 HTR1A (0.43) HTR1AHTR7DRD2HTR6THRB

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-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
WO-2022076629-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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4265/4885HTR7 4069/4885DRD2 4617/4885

“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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