SCHEMBL29567094

SCHEMBL29567094

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccccc2)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NAT1 P18440 1/20 0.33
▸ SLC8A1 P32418 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CD O00329 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
SCHEMBL26812633 1.00 HTR1A (0.38) HTR1AHTR7KDM4EALDH1A1LMNA
SCHEMBL24310223 0.92 HTR1A (0.41) HTR1AHTR7KDM4ETSHRSCN9A
SCHEMBL29567048 0.92 HTR1A (0.41) HTR1AHTR7KDM4ETSHRSCN9A
SCHEMBL29566851 0.90 RAD52 (0.38) HTR1AHTR7KDM4EALDH1A1HPGD
SCHEMBL24310157 0.90 RAD52 (0.38) HTR1AHTR7KDM4EALDH1A1HPGD
SCHEMBL24309861 0.89 HTR1A (0.40) HTR1AHTR7KDM4EALDH1A1LMNA
SCHEMBL29567228 0.89 HTR1A (0.40) HTR1AHTR7KDM4EALDH1A1LMNA
SCHEMBL24309645 0.89 HTR1A (0.39) HTR1AHTR7SCN9ASMN1; SMN2
SCHEMBL29566687 0.89 HTR1A (0.39) HTR1AHTR7SCN9ASMN1; SMN2
SCHEMBL24310151 0.88 HTR1A (0.40) HTR1AHTR7EGFRBRD4

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP 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 3833/4885KDM4E 4141/4885

“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.

Send feedback