SCHEMBL29566971

SCHEMBL29566971

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.37
▸ HTR7 P34969 9/20 0.37
▸ DRD2 P14416 5/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HTR2A P28223 4/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 2/20 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
SCHEMBL24309646 1.00 HTR1A (0.37) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24310130 0.93 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29566383 0.93 HTR1A (0.36) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24310673 0.87 HTR1A (0.40) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29566415 0.85 AURKA (0.37) SMN1; SMN2LMNAHTTPOLBMEN1
SCHEMBL24310648 0.85 AURKA (0.37) SMN1; SMN2LMNAHTTPOLBMEN1
SCHEMBL29567055 0.83 HTR1A (0.40) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309427 0.83 HTR1A (0.40) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29567018 0.83 HTR6 (0.35) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808480 0.83 HTR6 (0.35) HTR1AHTR7DRD2HTR6HTR2A

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 3833/4885DRD2 4505/4885

“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