SCHEMBL6484277

SCHEMBL6484277

CCOC(=O)c1ccc(N)c(CSc2nc3cc(OC)ccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 7/20 0.49
CYP2C8 P10632 7/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C9 P11712 7/20 0.49
CYP2B6 P20813 7/20 0.49
CYP2C19 P33261 7/20 0.49
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 5/20 0.49
HTT P42858 2/20 0.48
HDAC1 Q13547 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 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
SCHEMBL6474777 0.86 RAB9A (0.55) HTTHDAC1MAPTTP53SMN1; SMN2
SCHEMBL6475837 0.83 CYP2E1 (0.57) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6476079 0.81 KDM4E (0.43) HTTMAPTSMN1; SMN2LMNANPC1
SCHEMBL6475400 0.78 CYP2E1 (0.57) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL13735109 0.77 MAPT (0.55) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6485647 0.77 ATP4A (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9282150 0.77 ALDH1A1 (0.46) HTTMAPTPRMT5WDR77SMN1; SMN2
SCHEMBL1063187 0.76 CYP2E1 (0.68) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6481780 0.75 SMN1; SMN2 (0.65) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1065421 0.74 CYP2E1 (0.83) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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 4 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
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 CYP2E1 691/4885CYP2C8 976/4885CYP2D6 707/4885

“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.