SCHEMBL5730144

SCHEMBL5730144

CS(=O)(=O)c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.49
▸ DYRK1A Q13627 1/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ RIPK1 Q13546 3/20 0.41
▸ AR P10275 3/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ NR3C2 P08235 2/20 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
SCHEMBL26980813 0.84 DYRK1A (0.49) NR4A2DYRK1AHTR2ACA12CA1
SCHEMBL6478098 0.83 NR4A2 (0.49) NR4A2DYRK1AHTR2ACA12CA1
SCHEMBL6485937 0.82 SLC6A4 (0.47) NR4A2DYRK1AHTR2ACA12CA1
SCHEMBL5729189 0.81 BRPF1 (0.56) NR4A2HTR2AARNR3C1PGR
SCHEMBL6363274 0.78 NR3C1 (0.39) CA12CA1CA2CA3CA6
SCHEMBL6362236 0.77 NR3C1 (0.41) DYRK1ACA12CA1CA2CA3
SCHEMBL838565 0.74 CCR2 (0.37) ARNR3C1PGRNR3C2AHR
SCHEMBL28251367 0.73 DYRK1A (0.60) NR4A2DYRK1AHTR2ACA12CA1
SCHEMBL22450841 0.72 NR4A2 (0.69) NR4A2DYRK1AHTR2ASLC6A4RIPK1
SCHEMBL14030904 0.72 CYP1A2 (0.54) NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378095-C Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2008-04-02 — — CN disclosed
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 — — EP disclosed
CN-1628113-A Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2005-06-15 — — CN disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 — — US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 — — EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 — — US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 — — 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 (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-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B NR4A2 230/4885DYRK1A 1394/4885HTR2A 61/4885

“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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