SCHEMBL4398411

SCHEMBL4398411

CN(C)CCCCNS(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.37
PAOX Q6QHF9 1/20 0.36
DNM1 Q05193 3/20 0.36
GRIA1 P42261 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL8018138 0.84 ALDH1A1 (0.60) ALDH1A1CA12CA2CA9KMT2A
SCHEMBL14017913 0.80 ALDH1A1 (0.45) ALDH1A1CA12CA2CA9KMT2A
SCHEMBL1158769 0.75 PPARA (0.58) ALDH1A1CA12CA2CA9KMT2A
SCHEMBL31657005 0.74 ALDH1A1 (0.61) ALDH1A1TSHRPAOXDNM1KDM4E
SCHEMBL10930258 0.73 PPARA (0.61) CA12CA2CA9KMT2ATSHR
SCHEMBL11221936 0.73 PPARA (0.61) CA12CA2CA9KMT2ATSHR
SCHEMBL48520 0.73 CA12 (0.50) ALDH1A1CA12CA2CA9KMT2A
SCHEMBL31538675 0.73 CA12 (0.50) ALDH1A1CA12CA2CA9KMT2A
Sulfuric Acid SCHEMBL28780622 0.72 ALDH1A1 (0.46) ALDH1A1TSHRPAOXDNM1KDM4E
SCHEMBL3365101 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 ALDH1A1 178/4885CA12 3926/4885CA2 3849/4885

“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.