SCHEMBL24310322

SCHEMBL24310322

Cc1ccccc1Oc1cc(C2CC2c2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.40
▸ HTR7 P34969 6/20 0.40
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SLC8A1 P32418 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ KEAP1 Q14145 5/20 0.35
▸ NFE2L2 Q16236 5/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL29567360 1.00 HTR1A (0.40) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL26807639 0.89 TSHR (0.47) HTR1AHTR7TSHRSMN1; SMN2KEAP1
SCHEMBL26807637 0.85 HTR1A (0.40) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309983 0.85 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL26810543 0.84 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29566960 0.84 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309834 0.84 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309574 0.82 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29567022 0.82 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29566619 0.82 HTR1A (0.43) HTR1AHTR7TSHRSMN1; SMN2DRD2

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
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 HTR1A 4018/4885HTR7 3833/4885TSHR 1755/4885

“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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