SCHEMBL6474267

SCHEMBL6474267

CCCCc1ccc(N)c(CSc2nc3ccccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.61
ATP4B P51164 2/20 0.61
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
GALR3 O60755 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
HPGD P15428 2/20 0.50
AR P10275 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PTGS2 P35354 1/20 0.49
TP53 P04637 2/20 0.48

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 0.81 ATP4A (0.57) ATP4AATP4BRAB9ANPC1MAPT
SCHEMBL6474677 0.79 NPC1 (0.64) ATP4AATP4BRAB9ANPC1MAPT
SCHEMBL6482715 0.79 NPC1 (0.56) RAB9ANPC1MAPTMEN1HTT
SCHEMBL6475301 0.78 ATP4A (0.59) ATP4AATP4BRAB9ANPC1MAPT
SCHEMBL6480868 0.78 NPC1 (0.69) RAB9ANPC1MAPTMEN1HTT
Hydrochloric Acid SCHEMBL6481780 0.77 SMN1; SMN2 (0.65) ATP4AATP4BRAB9ANPC1MEN1
Bromide SCHEMBL10768702 0.77 NPC1 (0.68) RAB9ANPC1MAPTMEN1HTT
SCHEMBL6475600 0.76 NPC1 (0.56) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL6474777 0.74 RAB9A (0.55) RAB9ANPC1MAPTMEN1HTT
SCHEMBL425175 0.72 RAB9A (1.00) RAB9ANPC1MAPTMEN1HTT

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 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.