SCHEMBL26808415

SCHEMBL26808415

COc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HTR1A P08908 7/20 0.44
▸ HTR7 P34969 7/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ HTR2A P28223 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34

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
SCHEMBL24309659 0.91 HTR1A (0.43) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL29567073 0.91 HTR1A (0.43) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL26808408 0.88 HTR1A (0.45) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL26808373 0.88 HTR1A (0.41) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL26808397 0.87 HTR1A (0.44) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL26808420 0.87 HTR1A (0.44) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL26808374 0.87 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808400 0.87 HTR1A (0.44) SMN1; SMN2TSHRHTR1AHTR7DRD2
SCHEMBL29566741 0.86 HTR1A (0.43) TSHRHTR1AHTR7DRD2HTR6
SCHEMBL24309750 0.86 HTR1A (0.43) TSHRHTR1AHTR7DRD2HTR6

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 SMN1; SMN2 4847/4885TSHR 1755/4885HTR1A 4018/4885

“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