SCHEMBL6440949

SCHEMBL6440949

COc1ccc2[nH]c([S+]([O-])Cc3ccccn3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
RUNX1 Q01196 1/20 0.43
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
SYK P43405 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL6440954 0.91 CYP2E1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL9387176 0.86 NOS2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL10962887 0.85 NOS2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
Omeprazole SCHEMBL9242886 0.85 CYP2C9 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
Omeprazole SCHEMBL4288056 0.85 CYP2C9 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL10618724 0.85 KDM4E (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL6872820 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL11017874 0.84 NOS1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL6474848 0.83 BACE1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1
SCHEMBL11373497 0.83 KDM4E (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2E1

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 230/4885CYP3A4 143/4885CYP2D6 146/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP1A2 2194/4885CYP3A4 3578/4885CYP2D6 2814/4885

“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.