SCHEMBL26807486

SCHEMBL26807486

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(C3CCCOC3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.41
▸ HTR7 P34969 6/20 0.41
▸ SLC8A1 P32418 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MGAT3 Q09327 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL26807484 0.90 HTR1A (0.43) HTR1AHTR7SLC8A1MEN1LMNA
SCHEMBL26807354 0.89 HTR1A (0.42) HTR1AHTR7SLC8A1LMNATSHR
SCHEMBL29566649 0.89 HTR1A (0.42) HTR1AHTR7SLC8A1LMNATSHR
SCHEMBL24309633 0.83 HTR1A (0.38) HTR1AHTR7SLC8A1MEN1LMNA
SCHEMBL29567582 0.83 HTR1A (0.38) HTR1AHTR7SLC8A1MEN1LMNA
SCHEMBL29566328 0.82 HTR1A (0.40) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL26807482 0.82 HTR1A (0.40) HTR1AHTR7SLC8A1LMNATSHR
SCHEMBL24309397 0.82 HTR1A (0.40) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL26807485 0.82 HTR1A (0.40) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL26807483 0.81 HTR1A (0.41) HTR1AHTR7SLC8A1MEN1LMNA

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 HTR1A 4018/4885HTR7 3833/4885SLC8A1 201/4885

“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