SCHEMBL26807778

SCHEMBL26807778

COc1ccc(Oc2cc(Oc3ccc(N4CCNCC4)cc3)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ HTR6 P50406 3/20 0.44
▸ GUSB P08236 3/20 0.43
▸ RIPK2 O43353 6/20 0.43
▸ ACVR1 Q04771 6/20 0.43
▸ NOD2 Q9HC29 6/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ HTR7 P34969 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL26807780 0.93 LTA4H (0.47) HTR6GUSBRIPK2ACVR1NOD2
SCHEMBL26807760 0.92 LTA4H (0.48) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807765 0.92 ACVR1 (0.39) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807773 0.91 RIPK2 (0.43) HTR6GUSBRIPK2ACVR1NOD2
SCHEMBL24309513 0.91 LTA4H (0.41) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29567157 0.91 LTA4H (0.41) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807471 0.89 ACVR1 (0.40) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807728 0.89 FLT3 (0.37) HTR6GUSBRIPK2ACVR1NOD2
SCHEMBL26807463 0.89 ACVR1 (0.40) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807769 0.88 GUSB (0.43) HTR3EHTR3BADRB1HTR3AHTR3D

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 HTR3E 2661/4885HTR3B 2729/4885ADRB1 673/4885

“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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