SCHEMBL6474677

SCHEMBL6474677

Nc1ccc(F)cc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HPGD P15428 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 3/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 2/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
ATP4A P20648 1/20 0.57
ATP4B P51164 1/20 0.57
BCHE P06276 1/20 0.52

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
SCHEMBL6480538 0.85 ATP4A (0.57) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL6482715 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL6475600 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL6480868 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDLMNA
Bromide SCHEMBL10768702 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDLMNA
Hydrochloric Acid SCHEMBL6481780 0.81 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL6474267 0.79 ATP4A (0.61) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL15653805 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL15654012 0.77 RAB9A (0.73) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL6480347 0.77 HPGD (0.58) NPC1RAB9ASMN1; SMN2HPGDLMNA

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 5 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
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 NPC1 363/4885RAB9A 486/4885SMN1; 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.