SCHEMBL6882801

SCHEMBL6882801

CC(C)c1ccc2nc([S+]([O-])Cc3ccccn3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
CYP2E1 P05181 6/20 0.41
CYP2C8 P10632 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C9 P11712 6/20 0.41
CYP2B6 P20813 6/20 0.41
CYP2C19 P33261 6/20 0.41
CYP3A4 P08684 5/20 0.41
SCN10A Q9Y5Y9 2/20 0.39
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
CBFB Q13951 4/20 0.36
ALDH1A1 P00352 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
SRPK2 P78362 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL15016443 0.94 METAP2 (0.43) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6882797 0.91 ALDH1A1 (0.35) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872821 0.85 CYP1A2 (0.57) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6441728 0.83 CYP1A2 (0.41) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872775 0.82 CBFB (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6877250 0.82 METAP2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6883706 0.82 METAP2 (0.54) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6440954 0.82 CYP2E1 (0.59) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL9247237 0.81 CYP1A2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL563458 0.81 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 9 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
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 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.