SCHEMBL24310059

SCHEMBL24310059

Cc1cccc(C)c1-c1cc(Oc2ccc(CCN(C)C)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.37
▸ HTR6 P50406 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ HTR7 P34969 4/20 0.33
▸ CACNA1B Q00975 3/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31

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
SCHEMBL29566654 1.00 NMT1 (0.37) NMT1HTR6TSHRSMN1; SMN2PIK3CD
SCHEMBL26810044 0.91 SMN1; SMN2 (0.35) HTR6TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26810235 0.89 CACNA1B (0.34) HTR6TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26810012 0.89 SMN1; SMN2 (0.34) HTR6TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26856825 0.89 MKNK1 (0.38) HTR6TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL29566580 0.88 HTR6 (0.34) NMT1HTR6TSHRSMN1; SMN2PIK3CD
SCHEMBL24310116 0.88 HTR6 (0.34) NMT1HTR6TSHRSMN1; SMN2PIK3CD
SCHEMBL29566661 0.88 TSHR (0.33) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL24310136 0.88 TSHR (0.33) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26856978 0.87 CACNA1B (0.37) HTR6PIK3CDPIK3CBMTORPIK3CG

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 NMT1 266/4885HTR6 2653/4885TSHR 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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