SCHEMBL26813383

SCHEMBL26813383

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc2c1CCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.40
▸ HTR7 P34969 5/20 0.40
▸ HRH1 P35367 7/20 0.37
▸ HRH4 Q9H3N8 7/20 0.37
▸ HRH2 P25021 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ EGFR P00533 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
SCHEMBL29566900 0.84 HTR1A (0.43) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL24309827 0.84 HTR1A (0.43) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL29566814 0.83 HTR1A (0.42) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29566904 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL29567189 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL24310178 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL24309825 0.83 HTR1A (0.42) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309877 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL24309396 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6
SCHEMBL29567180 0.83 HTR1A (0.42) HTR1AHTR7KDM4EDRD2HTR6

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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373974-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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4265/4885HTR7 4069/4885HRH1 2944/4885

“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