SCHEMBL6877253

SCHEMBL6877253

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6880023 0.88 ALDH1A1 (0.40) BRD4KDM4EHTTHSD17B10TP53
SCHEMBL6881070 0.88 ADORA2A (0.39) BRD4KDM4EHTTHSD17B10TP53
SCHEMBL6879934 0.87 L3MBTL1 (0.47) BRD4KDM4EHTTHSD17B10TP53
SCHEMBL6878496 0.84 BRD4 (0.44) BRD4KDM4EHTTHSD17B10TP53
SCHEMBL6884552 0.82 ALDH1A1 (0.40) CYP1A2BRD4KDM4EHTTHSD17B10
SCHEMBL6872965 0.81 SMN1; SMN2 (0.44) KDM4EHTTALDH1A1NPC1RAB9A
SCHEMBL6475862 0.79 KDM4E (0.44) CYP1A2BRD4KDM4EHTTHSD17B10
SCHEMBL10921083 0.78 APAF1 (0.41) BRD4KDM4EHTTHSD17B10TP53
SCHEMBL6879349 0.77 KDM4E (0.61) CYP1A2KDM4EHTTHSD17B10ALDH1A1
SCHEMBL10921080 0.77 ALDH1A1 (0.41) CYP1A2BRD4KDM4EHTTHSD17B10

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 9 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

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 CYP1A2 230/4885CYP3A4 143/4885CYP2D6 146/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP1A2 2194/4885CYP3A4 3578/4885CYP2D6 2814/4885

“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.