SCHEMBL6528833

SCHEMBL6528833

[O-][S+](Cc1ccccc1)c1cccnc1-c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
ADRA2A P08913 1/20 0.31
MET P08581 1/20 0.31

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
SCHEMBL6527231 0.73 TAAR1 (0.47) NISCHMTORADKTAAR1CYP2D6
SCHEMBL8541063 0.70 LTA4H (0.53) NISCHMTORADKTAAR1MEN1
SCHEMBL9113864 0.70 CSNK1A1 (0.43) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL7397500 0.66 KDM4E (0.65) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL7537761 0.66 CSNK1A1 (0.49) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL4765463 0.65 ADRA2A (0.47) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL6924805 0.65 ADRA2A (0.49) NISCHMTORADKTAAR1CSNK1A1
SCHEMBL4764130 0.65 NISCH (0.47) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL3793358 0.65 FABP1 (0.39) LMNABLMALDH1A1ADRA2AKDM4E
SCHEMBL19385924 0.65 FABP1 (0.39) LMNABLMALDH1A1ADRA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NISCH 443/4885MTOR 1687/4885ADK 49/4885

“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.