SCHEMBL6475635

SCHEMBL6475635

CNc1ccccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
HPGD P15428 3/20 0.68
NFKB1 P19838 3/20 0.68
NFKB2 Q00653 3/20 0.68
RELA Q04206 3/20 0.68
ALDH1A1 P00352 1/20 0.68
BCHE P06276 1/20 0.60
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ATP4A P20648 1/20 0.54
ATP4B P51164 1/20 0.54

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 0.83 NPC1 (0.62) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL9695000 0.82 TP53 (0.71) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL15653805 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL12604487 0.78 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10869361 0.78 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL6480868 0.78 NPC1 (0.69) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL6483534 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDNFKB1
Bromide SCHEMBL10768702 0.77 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDNFKB1
Bromide SCHEMBL10765223 0.77 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL11475158 0.77 BCHE (1.00) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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 8 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
EP-0649305-A1 BENZIMIDAZOLES FOR ALLEVIATING STOMACH ULCERS IN SWINE MONSANTO COMPANY (US) 1995-04-26 EP disclosed
US-5389664-A Administering benzimidazole compounds to inhibit at pase activity MONSANTO COMPANY (US) 1995-02-14 US disclosed
WO-1994001107-A1 BENZIMIDAZOLES FOR ALLEVIATING STOMACH ULCERS IN SWINE MONSANTO COMPANY (US) 1994-01-20 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 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.