SCHEMBL9539618

SCHEMBL9539618

COc1ccnc(-c2cccc(C)c2[S+]([O-])c2nc3ccccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
RUNX1 Q01196 1/20 0.39
CBFB Q13951 3/20 0.38
PKM P14618 2/20 0.38
GAA P10253 3/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR1 P32246 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
SCHEMBL9538681 0.89 PDE10A (0.45) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL9540847 0.89 PDE10A (0.45) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333779 0.85 PDE10A (0.48) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL14141049 0.84 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1CBFB
SCHEMBL10333478 0.82 PDE10A (0.48) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL6474693 0.79 PDE10A (0.43) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333523 0.79 PDE10A (0.43) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333269 0.78 PDE10A (0.44) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333166 0.78 PDE10A (0.40) PDE10ANOS3NOS1NOS2NPC1
SCHEMBL10333411 0.78 PDE10A (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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170165248-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2017-06-15 US disclosed
US-20170165248-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2017-06-15 US disclosed
US-20150079186-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-20150079186-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-8962688-B2 Method for the treatment of gastrointestinal disorders SUCAMPO AG (CH) 2015-02-24 US disclosed
US-8962688-B2 Method for the treatment of gastrointestinal disorders SUCAMPO AG (CH) 2015-02-24 US disclosed
US-20130273168-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2013-10-17 US disclosed
US-20130273168-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF ASTRAZENECA AB (SE) 2013-10-17 US disclosed
US-8114435-B2 Oral pharmaceutical dosage forms comprising a proton pump inhibitor and a NSAID ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20080003281-A1 Modified Release Tablet Formulations for Proton Pump Inhibitors ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20070276006-A1 Method for the treatment of gastrointestinal disorders SUCAMPO AG 2007-11-29 US disclosed
US-20070276006-A1 Method for the treatment of gastrointestinal disorders SUCAMPO AG 2007-11-29 US disclosed
US-20070276007-A1 Administration of pharmaceuticals CEDERBERG CHRISTER 2007-11-29 US disclosed
US-20070276007-A1 Administration of pharmaceuticals CEDERBERG CHRISTER 2007-11-29 US disclosed
US-20070053981-A1 Solid composition comprising a proton pump inhibitor ASTRAZENECA AB (SE) 2007-03-08 US disclosed
US-20070053981-A1 Solid composition comprising a proton pump inhibitor ASTRAZENECA AB (SE) 2007-03-08 US 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 (7 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-20150079186-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF PGA5, PGC, SI PDE10A 741/4885NOS3 1428/4885NOS1 2806/4885
US-20170165248-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF PGA5, PGC, SI PDE10A 741/4885NOS3 1428/4885NOS1 2806/4885
US-20130273168-A1 SOLID DOSAGE FORM COMPRISING PROTON PUMP INHIBITOR AND SUSPENSION MADE THEREOF PGA5, PGC, SI PDE10A 741/4885NOS3 1428/4885NOS1 2806/4885
US-20080003281-A1 Modified Release Tablet Formulations for Proton Pump Inhibitors SI, PPIA, PPID PDE10A 372/4885NOS3 2818/4885NOS1 1540/4885
US-20070276006-A1 Method for the treatment of gastrointestinal disorders SLC10A2, PGA5, PTGS2 PDE10A 945/4885NOS3 2211/4885NOS1 2440/4885
US-20070053981-A1 Solid composition comprising a proton pump inhibitor PGA5, ATP6AP1, MLN PDE10A 1973/4885NOS3 4714/4885NOS1 4551/4885
US-20070276007-A1 Administration of pharmaceuticals ATP4A, ATP1A2, ATP1A4 PDE10A 1993/4885NOS3 4578/4885NOS1 4174/4885

“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.