SCHEMBL18707204

SCHEMBL18707204

CCCC1CCCCN1S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 8/20 0.67
▸ HTR1B P28222 4/20 0.67
▸ DRD3 P35462 4/20 0.67
▸ HTR1A P08908 3/20 0.67
▸ DRD2 P14416 3/20 0.67
▸ HTR1D P28221 3/20 0.67
▸ HTR6 P50406 2/20 0.67
▸ PSEN1 P49768 2/20 0.62
▸ PSEN2 P49810 2/20 0.62
▸ APH1B Q8WW43 2/20 0.62
▸ NCSTN Q92542 2/20 0.62
▸ APH1A Q96BI3 2/20 0.62
▸ PSENEN Q9NZ42 2/20 0.62
▸ MBTD1 Q05BQ5 1/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ HTR5A P47898 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
SCHEMBL13587273 0.82 PSEN1 (0.59) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL264716 0.81 PSEN1 (0.58) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL4298546 0.81 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL4298542 0.81 HTR7 (1.00) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL2563852 0.78 HTR7 (0.53) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL3763606 0.75 HTR7 (0.50) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL15276782 0.75 SIRT2 (0.66) SMN1; SMN2TP53HCRTR1HCRTR2
SCHEMBL15276784 0.74 SIRT2 (0.64) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL5809151 0.74 PSEN1 (0.57) HTR7HTR1BDRD3HTR1ADRD2
SCHEMBL5808164 0.73 PSEN1 (0.56) HTR7HTR1BDRD3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 — — US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — 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 (2 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 HTR7 2905/4885HTR1B 2481/4885DRD3 3549/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HTR7 2905/4885HTR1B 2481/4885DRD3 3549/4885

“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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