SCHEMBL6480347

SCHEMBL6480347

Nc1cc(Cl)ccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ATP4A P20648 1/20 0.57
ATP4B P51164 1/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
BCHE P06276 1/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6482715 0.90 NPC1 (0.56) HPGDLMNAMAPTHTTNPSR1
SCHEMBL14355189 0.87 HPGD (0.61) HPGDLMNAMAPTHTTNPSR1
SCHEMBL6475390 0.85 RAB9A (0.50) HPGDLMNAMAPTHTTNPSR1
SCHEMBL6480868 0.84 NPC1 (0.69) HPGDLMNAMAPTHTTNPSR1
Bromide SCHEMBL10768702 0.82 NPC1 (0.68) HPGDLMNAMAPTHTTNPSR1
SCHEMBL6475991 0.79 ATP4A (0.59) HPGDLMNAMAPTHTTNPSR1
SCHEMBL9677197 0.79 RAB9A (0.53) HPGDLMNAMAPTHTTNPSR1
SCHEMBL12604486 0.78 RAB9A (0.77) LMNAMAPTHTTNPC1RAB9A
SCHEMBL31325523 0.78 RAB9A (0.77) LMNAMAPTHTTNPC1RAB9A
SCHEMBL12604487 0.78 NPC1 (0.73) HPGDLMNAMAPTHTTNPSR1

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 6 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
US-5869513-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1999-02-09 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-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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 HPGD 870/4885LMNA 2278/4885MAPT 4881/4885

“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.