SCHEMBL6884552

SCHEMBL6884552

CS(=O)(=O)n1c([S+]([O-])Cc2ccccn2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH3A1 P30838 3/20 0.38
BRD4 O60885 1/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOD1 Q9Y239 2/20 0.36
CXCL8 P10145 1/20 0.36
GAA P10253 1/20 0.36
NOD2 Q9HC29 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7139492 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EALDH3A1HTTTSHR
SCHEMBL6872965 0.82 SMN1; SMN2 (0.44) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL6877253 0.82 CYP1A2 (0.41) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL6880023 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL6878496 0.78 BRD4 (0.44) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL7831481 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL6475862 0.78 KDM4E (0.44) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL6881070 0.77 ADORA2A (0.39) ALDH1A1KDM4EBRD4HTTSMN1; SMN2
SCHEMBL6879934 0.77 L3MBTL1 (0.47) ALDH1A1KDM4EBRD4HTTTSHR
SCHEMBL10921083 0.74 APAF1 (0.41) ALDH1A1KDM4EBRD4HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP claimed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US claimed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP claimed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP disclosed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 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 (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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 ALDH1A1 998/4885KDM4E 3685/4885ALDH3A1 887/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 ALDH1A1 3414/4885KDM4E 3580/4885ALDH3A1 1904/4885

“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.