SCHEMBL24325824

SCHEMBL24325824

O=C1NC[C@H](O)CN(Cc2ccccc2)[C@@H]1CCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL24325827 1.00 SIGMAR1 (0.41) SIGMAR1TDP1ALDH1A1MAPTMEN1
SCHEMBL24326693 0.86 SIGMAR1 (0.41) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24326692 0.86 SIGMAR1 (0.41) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24325785 0.82 GAA (0.40) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24326128 0.82 GAA (0.40) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27006639 0.82 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24326185 0.82 GAA (0.40) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24326179 0.82 GAA (0.40) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24325780 0.82 GAA (0.40) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL24326275 0.77 MAPT (0.41) SIGMAR1ALDH1A1MAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SIGMAR1 1818/4885TDP1 4375/4885ALDH1A1 4077/4885

“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.