SCHEMBL6530090

SCHEMBL6530090

NCCSn1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 4/20 0.41
▸ TNF P01375 1/20 0.41
▸ HTT P42858 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ FDPS P14324 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.37

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
SCHEMBL10735469 0.90 TDP1 (0.43) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8792548 0.83 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11140162 0.80 ASAH1 (0.47) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11451311 0.79 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL9060998 0.79 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8413080 0.79 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6529410 0.76 CYP11B1 (0.53) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL20683088 0.76 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL2924425 0.76 TDP1 (0.42) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8013907 0.75 TDP1 (0.52) TDP1CYP11B1CYP11B2TNFHTT

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 3 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

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 TDP1 904/4885CYP11B1 2831/4885CYP11B2 3447/4885

“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.

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