SCHEMBL26808181

SCHEMBL26808181

CCc1c(Oc2cccc(N3CCN(C(C)=O)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCRTR1 O43613 1/20 0.34
▸ HTR7 P34969 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ PKM P14618 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL29566946 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1HCRTR1HTR7HTR1A
SCHEMBL24310080 0.92 HTR1A (0.36) ALDH1A1HTR7HTR1ALMNAGAA
SCHEMBL29567132 0.92 HTR1A (0.36) ALDH1A1HTR7HTR1ALMNAGAA
SCHEMBL26811536 0.91 ALK (0.33) HCRTR1HTR7HTR1APOLBJAK2
SCHEMBL29566767 0.89 HCRTR1 (0.35) ALDH1A1NPSR1HCRTR1HTR1APKM
SCHEMBL24309320 0.89 HCRTR1 (0.35) ALDH1A1NPSR1HCRTR1HTR1APKM
SCHEMBL29566988 0.87 BRD9 (0.36) ALDH1A1HTR7HTR1ALMNAGAA
SCHEMBL24310146 0.87 BRD9 (0.36) ALDH1A1HTR7HTR1ALMNAGAA
SCHEMBL24309321 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1HTR7PKMLMNA
SCHEMBL24309981 0.85 HTR1A (0.33) HTR7HTR1AJAK1JAK3HTR6

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 ALDH1A1 3992/4885NPSR1 3974/4885HCRTR1 3623/4885

“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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