SCHEMBL6440091

SCHEMBL6440091

Cc1cc2nc([S+]([O-])C(C)c3ccccn3)[nH]c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.49
METAP2 P50579 2/20 0.49
METAP1 P53582 2/20 0.49
GUSB P08236 1/20 0.44
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 6/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KLK7 P49862 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36
FABP6 P51161 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KMT2A Q03164 4/20 0.35

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
SCHEMBL6872828 0.87 CBFB (0.39) CBFBMETAP2METAP1GUSBKDM4E
SCHEMBL6883125 0.85 CXCR4 (0.42) METAP2METAP1KDM4ENPC1MAPT
SCHEMBL11372223 0.84 CBFB (0.33) CBFBMETAP2METAP1GUSBKDM4E
SCHEMBL10616888 0.81 CBFB (0.40) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10616882 0.81 CXCR4 (0.33) CBFBMETAP2METAP1KDM4ENPC1
SCHEMBL10620031 0.81 METAP2 (0.52) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10617516 0.81 CBFB (0.41) CBFBMETAP2MAPTPOLB
SCHEMBL10617524 0.81 CBFB (0.52) CBFBMETAP2PDE10ATRPV1
SCHEMBL6442907 0.81 METAP2 (0.41) METAP2METAP1GUSBKMT2AMEN1
SCHEMBL6454112 0.74 METAP2 (0.50) CBFBMETAP2METAP1GUSBADORA3

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 13 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
EP-1572098-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS Sohn, Stearns & Stern (US) 2005-09-14 EP disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
WO-2004034973-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS STERN WARREN (US) 2004-04-29 WO 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 CBFB 2690/4885METAP2 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 CBFB 2903/4885METAP2 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.