SCHEMBL6882471

SCHEMBL6882471

CCc1ccc2[nH]c([S+]([O-])C(CC)c3ccccn3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
TRPC5 Q9UL62 1/20 0.32
KIF11 P52732 1/20 0.32
CXCR4 P61073 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
CBFB Q13951 4/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
CYP1A2 P05177 2/20 0.30

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
SCHEMBL10617685 0.91 CBFB (0.40) KIF11CBFBMETAP2METAP1CYP1A2
SCHEMBL10616882 0.89 CXCR4 (0.33) TRPV1TRPC5KIF11CXCR4ATP4A
SCHEMBL10616910 0.88 METAP2 (0.38) TRPV1CBFBKDM4EMEN1USP2
SCHEMBL6880554 0.87 TRPV1 (0.37) TRPV1KCNH2CBFBKDM4EALDH1A1
SCHEMBL6878662 0.86 CXCR4 (0.41) CXCR4KDM4EMEN1USP2ALDH1A1
SCHEMBL6461676 0.84 METAP2 (0.40) TRPV1CXCR4MEN1GAAKMT2A
SCHEMBL10617520 0.84 CBFB (0.40) KIF11KCNH2CBFBMAPTKMT2A
SCHEMBL10616921 0.81 CBFB (0.48) CBFBKDM4EUSP2ALDH1A1GAA
SCHEMBL10617004 0.80 CBFB (0.47) TRPV1KCNH2CBFBKDM4EMEN1
SCHEMBL10616888 0.80 CBFB (0.40) KIF11CXCR4CBFBALDH1A1METAP2

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 1145/4885TRPC5 3387/4885KIF11 3545/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 TRPV1 351/4885TRPC5 2015/4885KIF11 4716/4885

“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.