SCHEMBL26810045

SCHEMBL26810045

Cc1cccc(C)c1-c1cc(Oc2ccc3cnccc3c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NAMPT P43490 4/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 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
SCHEMBL26810047 0.97 ALDH1A1 (0.35) ALDH1A1MAPTTSHRSMN1; SMN2BRD4
SCHEMBL26810094 0.89 HTR1A (0.36) ALDH1A1MAPTTSHRSMN1; SMN2BRD4
SCHEMBL26810238 0.87 SMN1; SMN2 (0.38) ALDH1A1TSHRSMN1; SMN2BRD4JAK2
SCHEMBL26810053 0.86 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2BRD4SCN9A
SCHEMBL24310345 0.86 TSHR (0.43) ALDH1A1MAPTTSHRSMN1; SMN2BRD4
SCHEMBL29566612 0.86 TSHR (0.43) ALDH1A1MAPTTSHRSMN1; SMN2BRD4
SCHEMBL29566748 0.86 GAA (0.40) ALDH1A1TSHRSMN1; SMN2BRD4PIK3CD
SCHEMBL26810218 0.86 KMT2A (0.40) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL24310086 0.86 GAA (0.40) ALDH1A1TSHRSMN1; SMN2BRD4PIK3CD
SCHEMBL26810050 0.85 HTR1A (0.42) ALDH1A1MAPTTSHRSMN1; SMN2BRD4

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 2 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

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 ALDH1A1 3992/4885MAPT 4864/4885TSHR 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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