SCHEMBL26807733

SCHEMBL26807733

CNC(=O)c1ccc(Oc2cc(C3CCCCC3)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.42
▸ HRH1 P35367 1/20 0.38
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ MET P08581 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT3 P36888 1/20 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
SCHEMBL26807622 0.99 HRH3 (0.43) HRH3HRH1RAF1BRAFJAK1
SCHEMBL26807731 0.91 HRH3 (0.39) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL24309812 0.91 HRH3 (0.41) HRH3HRH1RAF1BRAFJAK1
SCHEMBL26807631 0.89 HRH3 (0.39) HRH3JAK1NLRP3METKDR
SCHEMBL26807632 0.88 HRH3 (0.40) HRH3JAK1NLRP3METKDR
SCHEMBL26807618 0.88 HRH3 (0.39) HRH3HRH1RAF1BRAFJAK1
SCHEMBL26810541 0.87 HRH3 (0.39) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL29566813 0.86 HRH3 (0.37) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL26807654 0.86 HRH3 (0.37) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL29566701 0.86 HRH3 (0.41) HRH3HRH1JAK1PARP1SCN9A

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 HRH3 4413/4885HRH1 2920/4885RAF1 989/4885

“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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