SCHEMBL6880554

SCHEMBL6880554

CCC(c1ccccn1)[S+]([O-])c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
CBFB Q13951 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM5 P08912 4/20 0.36
CHRM1 P11229 4/20 0.36
HRH1 P35367 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM3 P20309 3/20 0.36
ADRA2B P18089 2/20 0.36
SLC6A2 P23975 2/20 0.36
HRH2 P25021 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
OPRK1 P41145 2/20 0.36
CYP2D6 P10635 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
SCHEMBL10617004 0.91 CBFB (0.47) TRPV1METAP2METAP1CBFBKCNH2
SCHEMBL10616910 0.88 METAP2 (0.38) TRPV1METAP2METAP1CBFBOPRK1
SCHEMBL6882471 0.87 TRPV1 (0.33) TRPV1METAP2METAP1CBFBKCNH2
SCHEMBL6878662 0.86 CXCR4 (0.41) METAP2METAP1CYP2D6CYP2C9KDM4E
SCHEMBL6461676 0.84 METAP2 (0.40) TRPV1METAP2METAP1SMN1; SMN2
SCHEMBL10617520 0.84 CBFB (0.40) CBFBKCNH2HRH3CYP2C9
SCHEMBL10616921 0.81 CBFB (0.48) METAP2METAP1CBFBCYP2D6CYP2C9
SCHEMBL10617685 0.80 CBFB (0.40) METAP2METAP1CBFBCYP2D6CYP2C9
SCHEMBL10616962 0.78 METAP2 (0.50) METAP2METAP1CBFBKCNH2CYP2D6
SCHEMBL10618763 0.78 CBFB (0.50) METAP2CBFBKCNH2CYP2C9

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 11 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
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO 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 TRPV1 1145/4885METAP2 1609/4885METAP1 2557/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 TRPV1 351/4885METAP2 127/4885METAP1 359/4885

“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.