SCHEMBL6475862

SCHEMBL6475862

[O-][S+](Cc1ccccn1)c1nc2ccccc2n1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HRH1 P35367 1/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX5AP P20292 1/20 0.38
CFTR P13569 1/20 0.38
CTSD P07339 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL10921083 0.90 APAF1 (0.41) KDM4EALDH1A1HRH1HTTALOX15
SCHEMBL7831481 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HRH1HTTALOX15
SCHEMBL10921813 0.86 L3MBTL1 (0.44) KDM4EALDH1A1HTTALOX15TSHR
SCHEMBL6878496 0.84 BRD4 (0.44) KDM4EALDH1A1HTTALOX15TSHR
SCHEMBL6872965 0.82 SMN1; SMN2 (0.44) KDM4EALDH1A1HRH1HTTALOX15
SCHEMBL6879349 0.80 KDM4E (0.61) KDM4EALDH1A1HTTTSHRHSD17B10
SCHEMBL10923235 0.80 ALDH1A1 (0.39) KDM4EALDH1A1HRH1HTTALOX15
SCHEMBL10921080 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HTTALOX15TSHR
SCHEMBL6881070 0.79 ADORA2A (0.39) KDM4EALDH1A1HTTL3MBTL1BRD4
SCHEMBL6877253 0.79 CYP1A2 (0.41) KDM4EALDH1A1HTTALOX15TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
US-4873337-A N-substituted derivatives of 2-(pyridylalkenesulfinyl) benzimidazoles as gastric antisecretory agents THE UPJOHN COMPANY (US) 1989-10-10 US claimed
EP-0176308-A2 2-(Pyridylalkylenesulfinyl) benzimidazoles THE UPJOHN COMPANY (US) 1986-04-02 EP claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
US-4873337-A N-substituted derivatives of 2-(pyridylalkenesulfinyl) benzimidazoles as gastric antisecretory agents THE UPJOHN COMPANY (US) 1989-10-10 US disclosed
EP-0176308-A2 2-(Pyridylalkylenesulfinyl) benzimidazoles THE UPJOHN COMPANY (US) 1986-04-02 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 (1 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 KDM4E 1518/4885ALDH1A1 2148/4885HRH1 388/4885

“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.