SCHEMBL26856698

SCHEMBL26856698

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDGFRB P09619 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ BRD2 P25440 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
SCHEMBL26856673 0.91 PIK3CD (0.34) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL26857058 0.90 TSHR (0.36) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL26814500 0.89 HTR1A (0.36) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL26856788 0.88 HTR1A (0.34) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL26810238 0.88 SMN1; SMN2 (0.38) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL24310345 0.88 TSHR (0.43) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL29566612 0.88 TSHR (0.43) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL29566748 0.88 GAA (0.40) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL24310086 0.88 GAA (0.40) HTR1AHTR7TSHRSMN1; SMN2PIK3CD
SCHEMBL26810218 0.88 KMT2A (0.40) TSHRSMN1; SMN2L3MBTL1KDM4EEGFR

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 1 patent. 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

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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