SCHEMBL6442937

SCHEMBL6442937

Cc1cc(C)c2nc([S+]([O-])Cc3ccccn3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
DHODH Q02127 1/20 0.39
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CBFB Q13951 2/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 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
SCHEMBL10617565 0.88 ADORA3 (0.44) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1
SCHEMBL6880563 0.85 CBFB (0.51) CYP2D6CYP2C19CYP1A2CYP2E1CYP2C8
SCHEMBL6872821 0.83 CYP1A2 (0.57) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1
SCHEMBL10617543 0.82 NOS2 (0.42) CYP2C9CBFB
SCHEMBL6475549 0.82 NOS2 (0.38) DHODHESR1
SCHEMBL6442940 0.82 CYP1A2 (0.37) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1
SCHEMBL6454112 0.81 METAP2 (0.50) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1
SCHEMBL6872820 0.81 CYP1A2 (0.46) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1
SCHEMBL10769486 0.78 KMT2A (0.42) ESR1KDM4EALDH1A1HSD17B10NPC1
Timoprazole SCHEMBL9247237 0.77 CYP1A2 (0.51) CYP3A4CYP2D6CYP2C19CYP1A2CYP2E1

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 CYP3A4 143/4885CYP2D6 146/4885CYP2C19 459/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP3A4 3578/4885CYP2D6 2814/4885CYP2C19 1520/4885

“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.