SCHEMBL6530086

SCHEMBL6530086

NCCSc1nc2ccccc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.83
EPHX2 P34913 1/20 0.73
AR P10275 5/20 0.71
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 2/20 0.66
ALDH1A1 P00352 2/20 0.63
TP53 P04637 2/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
HPGD P15428 2/20 0.60
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
Hydrochloric Acid SCHEMBL28882568 0.98 BCHE (0.80) BCHEEPHX2ARNPC1RAB9A
SCHEMBL11475158 0.91 BCHE (1.00) BCHEEPHX2ARNPC1RAB9A
SCHEMBL6759921 0.89 BCHE (0.71) BCHEEPHX2ARNPC1RAB9A
SCHEMBL6759851 0.89 BCHE (0.71) BCHEEPHX2ARNPC1RAB9A
SCHEMBL14304932 0.87 BCHE (0.86) BCHEEPHX2ARNPC1RAB9A
SCHEMBL6756956 0.86 BCHE (0.67) BCHEEPHX2ARNPC1RAB9A
SCHEMBL6141660 0.86 BCHE (0.83) BCHEEPHX2ARNPC1RAB9A
SCHEMBL14303261 0.86 BCHE (0.83) BCHEEPHX2ARNPC1RAB9A
SCHEMBL14303260 0.86 BCHE (0.83) BCHEEPHX2ARNPC1RAB9A
SCHEMBL14304381 0.86 BCHE (0.83) BCHEEPHX2ARNPC1RAB9A

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 10 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-5352677-A Antihyperlipidemic agents KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-10-04 US disclosed
EP-0407200-B1 Cinnamamide derivatives KANEGAFUCHI CHEMICAL IND (JP) 1994-06-01 EP disclosed
US-5294624-A Antiartheriosclerosis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-03-15 US disclosed
US-5294643-A Cinnamamide derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 1994-03-15 US disclosed
EP-0407200-A1 Cinnamamide derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-09 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
EP-0218753-A1 Image-recieving element for the silver salt diffusion transfer reversal process AGFA-GEVAERT N.V. (BE) 1987-04-22 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 BCHE 2324/4885EPHX2 2387/4885AR 3938/4885

“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.