SCHEMBL6442940

SCHEMBL6442940

Cc1cc(C)c2[nH]c([S+]([O-])Cc3ccccn3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2E1 P05181 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KLK7 P49862 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL10617569 0.88 CYP1A2 (0.34) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6880565 0.85 CBFB (0.36) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10617562 0.83 NOS2 (0.45) CYP2C9CBFB
SCHEMBL6442937 0.82 CYP3A4 (0.40) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872820 0.82 CYP1A2 (0.46) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6454112 0.81 METAP2 (0.50) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872821 0.80 CYP1A2 (0.57) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10926513 0.77 CYP1A2 (0.36) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10617505 0.77
Timoprazole SCHEMBL464728 0.76 CYP1A2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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 CYP1A2 230/4885CYP2E1 343/4885CYP2C8 926/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP1A2 2194/4885CYP2E1 1998/4885CYP2C8 2314/4885

“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.