SCHEMBL6474241

SCHEMBL6474241

[O-][S+](Cc1ccccn1)c1cnc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 2/20 0.35
HRH1 P35367 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL9693697 0.85 HPGD (0.39) KMT2AHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL9702156 0.85 NPC1 (0.43) PDE10AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9377071 0.78 PDE10A (0.36) PDE10AMAPTMEN1KMT2AHTT
SCHEMBL9377647 0.77 LOXL2 (0.45) PDE10AHTTHPGDSMN1; SMN2KDM4E
SCHEMBL9695439 0.75 KDM4E (0.37) MAPTMEN1KMT2AHTTHPGD
Hydrochloric Acid SCHEMBL9756590 0.72 HRH1 (0.42) MAPTKMT2ASMN1; SMN2HRH1LIN28A
SCHEMBL11253725 0.72 MAOA (0.43) MAPTKMT2AHTTSMN1; SMN2HRH1
SCHEMBL9693698 0.71 ATP4A (0.36) PDE10AMAPTMEN1KMT2AHTT
Timoprazole SCHEMBL464728 0.71 CYP1A2 (0.51) MAPTMEN1KMT2AHTTHPGD
Timoprazole SCHEMBL9247237 0.71 CYP1A2 (0.51) MAPTMEN1KMT2AHTTHPGD

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 20 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-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US claimed
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP claimed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP claimed
JP-62161769-A None JP disclosed
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
EP-0338346-B1 Quinoxaline derivatives and antiulcer agents NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
EP-0337308-B1 2-Pyridylmethylthio derivatives and antiulcer agents NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
US-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US disclosed
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed
US-4933342-A Quinoxaline derivatives and antiulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-12 US disclosed
EP-0338346-A2 Quinoxaline derivatives and antiulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-25 EP disclosed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP disclosed
JP-S62161769-A NOVEL SULFOXIDE COMPOUND AND PRODUCTION THEREOF NIPPON CHEMIPHAR CO LTD 1987-07-17 JP 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 PDE10A 2112/4885MAPT 4881/4885MEN1 4836/4885

“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.