SCHEMBL6475245

SCHEMBL6475245

O=C(Nc1ccccc1CSc1nc2ccccc2[nH]1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HDAC1 Q13547 2/20 0.51
RECQL P46063 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL9286493 0.81 NPC1 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
Bromide SCHEMBL10765223 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7964041 0.76 POLB (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6475635 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7963992 0.74 AR (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31325504 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2949736 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5477242 0.72 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9588889 0.71 NPC1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15516309 0.71 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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 9 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
JP-62185078-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
JP-S62185078-A BENZIMIDAZOLE DERIVATIVE AND ANTIULCER AGENT SHIONOGI & CO LTD 1987-08-13 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 RAB9A 486/4885NPC1 363/4885SMN1; SMN2 4616/4885

“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.