SCHEMBL12207033

SCHEMBL12207033

Cn1c(=O)[nH]c2ccc(NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 3/20 0.49
▸ BRD4 O60885 2/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ LEF1 Q9UJU2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ACSS2 Q9NR19 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ B3GNT2 Q9NY97 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ DNASE1 P24855 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40

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
SCHEMBL12207029 0.83 ACSS2 (0.41) PSMB8CA12CA1CA9LEF1
SCHEMBL13015583 0.82 ADORA3 (0.51) PSMB8BRD4LRRK2LMNAADORA3
SCHEMBL30896791 0.81 ACSS2 (0.42) PSMB8CA12CA1CA9LEF1
SCHEMBL21635682 0.79 ALDH1A1 (0.41) CA12CA1CA9LMNAPGR
SCHEMBL30289054 0.77 GABRA1 (0.50) BRD4LMNAPGRB3GNT2ALDH1A1
SCHEMBL20529237 0.76 KDM4E (0.55) LMNAALDH1A1GAA
SCHEMBL27056782 0.76 PSMB8 (0.51) PSMB8BRD4LRRK2LMNAPGR
SCHEMBL11548746 0.76 PSMB8 (0.54) PSMB8BRD4LRRK2CA12CA9
SCHEMBL30763590 0.76 ACHE (0.36) PSMB8CA12CA1CA9LEF1
SCHEMBL12361997 0.74 LMNA (0.53) PSMB8BRD4LRRK2LMNAADORA3

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-8497307-B2 Aryl guanidine F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-30 — — US disclosed
US-8497307-B2 Aryl guanidine F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-30 — — US disclosed
US-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 — — 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-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS ATP5F1A, ATP5F1D, ATP5F1B PSMB8 2857/4885BRD4 1176/4885LRRK2 2240/4885

“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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