SCHEMBL26808371

SCHEMBL26808371

CC(C)c1ccccc1-c1cc(Oc2ccc(N3CCOCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ PLK4 O00444 1/20 0.37
▸ PIK3CA P42336 3/20 0.36
▸ MET P08581 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ USP1 O94782 1/20 0.35

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
SCHEMBL26808355 0.92 HTR6 (0.39) HTR1ADRD2HTR7HTR6BRD4
SCHEMBL24309659 0.89 HTR1A (0.43) MAPTKMT2AALDH1A1HTR1ADRD2
SCHEMBL29567073 0.89 HTR1A (0.43) MAPTKMT2AALDH1A1HTR1ADRD2
SCHEMBL24310551 0.86 HTR6 (0.36) MAPTALDH1A1GAAHTR1ADRD2
SCHEMBL26806755 0.86 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL26808367 0.85 HTR1A (0.40) HTR1ADRD2HTR7HTR6MET
SCHEMBL26808373 0.84 HTR1A (0.41) KMT2AKDM4EHTR1ADRD2HTR7
SCHEMBL26808368 0.84 HTR1A (0.39) KMT2AMEN1HTR1ADRD2HTR7
SCHEMBL26812314 0.84 KMT2A (0.40) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL26808415 0.83 SMN1; SMN2 (0.45) MAPTKMT2AMEN1HTTHTR1A

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 MAPT 4864/4885KMT2A 4613/4885ALDH1A1 3992/4885

“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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