SCHEMBL24310817

SCHEMBL24310817

Cc1ccccc1Oc1cc(-c2ccccc2C)nc(NS(=O)(=O)c2cnn(C(C)(C)C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ SDHB P21912 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN9A Q15858 6/20 0.33
▸ ALPL P05186 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 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
SCHEMBL29567731 1.00 BRD4 (0.38) BRD4TSHRSMN1; SMN2KMT2ARXFP1
SCHEMBL24309726 0.88 HTR1A (0.43) BRD4TSHRSMN1; SMN2KMT2ARXFP1
SCHEMBL29566619 0.88 HTR1A (0.43) BRD4TSHRSMN1; SMN2KMT2ARXFP1
SCHEMBL29567022 0.78 BRD4 (0.41) BRD4TSHRSMN1; SMN2RXFP1THRB
SCHEMBL24309574 0.78 BRD4 (0.41) BRD4TSHRSMN1; SMN2RXFP1THRB
SCHEMBL24309642 0.78 POLB (0.43) TSHRSMN1; SMN2THRBGAAALDH1A1
SCHEMBL29566753 0.78 POLB (0.43) TSHRSMN1; SMN2THRBGAAALDH1A1
SCHEMBL24309260 0.75 LMNA (0.49) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL29566397 0.75 LMNA (0.49) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL29566539 0.74 DRD2 (0.36) BRD4

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 BRD4 1716/4885TSHR 1755/4885SMN1; SMN2 4847/4885

“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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