SCHEMBL6454112

SCHEMBL6454112

Cc1cc2nc([S+]([O-])Cc3ccccn3)[nH]c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
CBFB Q13951 1/20 0.50
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
KLK7 P49862 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GUSB P08236 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2E1 P05181 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C8 P10632 4/20 0.41
CYP2D6 P10635 4/20 0.41

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
SCHEMBL11373497 0.87 KDM4E (0.48) CBFBKDM4EMAPTNPC1ALDH1A1
SCHEMBL6872820 0.86 CYP1A2 (0.46) METAP2METAP1CBFBKDM4EMAPT
SCHEMBL6872821 0.86 CYP1A2 (0.57) METAP2METAP1CBFBKDM4EMAPT
Timoprazole SCHEMBL464728 0.83 CYP1A2 (0.51) METAP2METAP1KDM4EMAPTNPC1
Timoprazole SCHEMBL563458 0.83 CYP1A2 (0.51) METAP2METAP1KDM4EMAPTNPC1
Timoprazole SCHEMBL9247237 0.83 CYP1A2 (0.51) METAP2METAP1KDM4EMAPTNPC1
SCHEMBL6441728 0.82 CYP1A2 (0.41) METAP2METAP1CBFBKDM4ENPC1
SCHEMBL11348239 0.82 IDO1 (0.34) CBFBKDM4EMAPTNPC1ALDH1A1
SCHEMBL10844781 0.82 KDM4E (0.35) METAP2METAP1CBFBKDM4EMAPT
SCHEMBL6441721 0.82 TRPC5 (0.39) KDM4EMAPTNPC1ALDH1A1POLB

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 METAP2 1609/4885METAP1 2557/4885CBFB 2690/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 METAP2 127/4885METAP1 359/4885CBFB 2903/4885

“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.