SCHEMBL24309384

SCHEMBL24309384

COc1c(Oc2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.39
▸ HTR7 P34969 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PGR P06401 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 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
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL29566871 1.00 HTR1A (0.39) HTR1AHTR7SMN1; SMN2TSHRPGR
SCHEMBL29567189 0.92 HTR1A (0.42) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL24309396 0.92 HTR1A (0.42) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL29567228 0.91 HTR1A (0.40) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL24309861 0.91 HTR1A (0.40) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL26808704 0.89 RAD52 (0.39) SMN1; SMN2TSHRALDH1A1HPGDEGFR
SCHEMBL26811501 0.88 HTR1A (0.39) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL24309903 0.88 NOD2 (0.39) SMN1; SMN2EGFR
SCHEMBL29566801 0.88 NOD2 (0.39) SMN1; SMN2EGFR
SCHEMBL26808712 0.88 HTR7 (0.41) HTR1AHTR7EGFR

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 HTR1A 4018/4885HTR7 3833/4885SMN1; SMN2 4847/4885

“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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