SCHEMBL6485647

SCHEMBL6485647

CCOc1ccc2[nH]c(SCc3cc(C)ccc3N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.52
ATP4B P51164 1/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2E1 P05181 3/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 3/20 0.48
HTT P42858 4/20 0.47
MAPT P10636 6/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL6475837 0.89 CYP2E1 (0.57) ATP4AATP4BRAB9ANPC1CYP1A2
Water SCHEMBL6483222 0.86 CYP2E1 (0.54) ATP4AATP4BRAB9ANPC1HPGD
SCHEMBL8384659 0.80 CYP1A2 (0.56) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL6480538 0.80 ATP4A (0.57) ATP4AATP4BRAB9ANPC1HPGD
SCHEMBL6476845 0.79 ATP4A (0.50) ATP4AATP4BRAB9ANPC1HPGD
SCHEMBL7592737 0.78 RAB9A (0.77) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL6475988 0.78 HPGD (0.50) ATP4AATP4BRAB9ANPC1HPGD
SCHEMBL6473985 0.78 CYP1A2 (0.61) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL6484277 0.77 CYP2E1 (0.49) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL16366746 0.77 CYP2E1 (0.62) RAB9ANPC1HPGDCYP1A2CYP3A4

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
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-B1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1993-08-11 EP 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 ATP4A 1/4885ATP4B 8/4885RAB9A 486/4885

“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.