SCHEMBL26807769

SCHEMBL26807769

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccc(N4CCNCC4)cc3)cc(Oc3cccc(Cl)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 13/20 0.43
▸ HTR6 P50406 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ LTA4H P09960 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL26807760 0.92 LTA4H (0.48) GUSBHTR6HTR2CLTA4HHTR3E
SCHEMBL26807780 0.91 LTA4H (0.47) GUSBHTR6LTA4H
SCHEMBL24309513 0.90 LTA4H (0.41) GUSBHTR6LTA4HHTR3EHTR3B
SCHEMBL29567157 0.90 LTA4H (0.41) GUSBHTR6LTA4HHTR3EHTR3B
SCHEMBL26807778 0.88 HTR3E (0.46) GUSBHTR6HTR3EHTR3BADRB1
SCHEMBL26807751 0.88 GUSB (0.41) GUSBHTR6HTR2CLTA4HHTR1A
SCHEMBL26807757 0.87 GUSB (0.40) GUSBHTR6LTA4H
SCHEMBL26807480 0.86 LTA4H (0.43) GUSBHTR6LTA4HHTR3EHTR3B
SCHEMBL26807773 0.85 RIPK2 (0.43) GUSBHTR6LTA4HHTR7HTT
SCHEMBL26807468 0.85 GUSB (0.42) GUSBHTR6LTA4H

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 GUSB 2723/4885HTR6 2653/4885HTR2C 4185/4885

“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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