SCHEMBL6474693

SCHEMBL6474693

COc1ccnc(-c2ccc(F)cc2[S+]([O-])c2nc3ccccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
AMY1A P0DUB6 1/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 3/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 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
SCHEMBL10333478 0.92 PDE10A (0.48) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333779 0.89 PDE10A (0.48) PDE10ANOS3NOS1NOS2AMY1A
SCHEMBL10333523 0.88 PDE10A (0.43) PDE10ANOS3NOS1NOS2AMY1A
SCHEMBL10333411 0.85 PDE10A (0.42) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333461 0.83 CCR1 (0.41) PDE10ANOS3NOS1NOS2AMY1A
SCHEMBL9538681 0.82 PDE10A (0.45) PDE10ANOS3NOS1NOS2AMY1A
SCHEMBL10333269 0.82 PDE10A (0.44) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL9539618 0.79 PDE10A (0.46) PDE10ANOS3NOS1NOS2AMY1A
SCHEMBL10333166 0.79 PDE10A (0.40) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10334002 0.79 NOS3 (0.42) PDE10ANOS3NOS1NOS2NPC1

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
WO-1993002077-A1 BENZIMIDAZOLES FISONS PLC (GB) 1993-02-04 WO claimed
EP-0526033-A1 Benzimidazoles FISONS plc (GB) 1993-02-03 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
WO-1993002077-A1 BENZIMIDAZOLES FISONS PLC (GB) 1993-02-04 WO disclosed
EP-0526033-A1 Benzimidazoles FISONS plc (GB) 1993-02-03 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 (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 2112/4885NOS3 967/4885NOS1 1323/4885

“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.