SCHEMBL2400947

SCHEMBL2400947

CO/C(=C\C=C\c1cc2cc(C)c(C)cc2[nH]1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.64
ATP6AP1 Q15904 1/20 0.46
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TNNI3 P19429 1/20 0.31
CRHBP P24387 1/20 0.31
TNNT2 P45379 1/20 0.31
KLK7 P49862 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL2400954 1.00 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1HDAC4HDAC6KDM4E
SCHEMBL2400959 1.00 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1HDAC4HDAC6KDM4E
SCHEMBL1229728 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL1229725 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL29546820 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL6296395 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL6296361 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL1229727 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HDAC4HDAC6
SCHEMBL6291989 0.87 ATP6V1B1 (0.60) ATP6V1B1ATP6AP1HDAC4HDAC6MAPT
SCHEMBL6291994 0.87 ATP6V1B1 (0.60) ATP6V1B1ATP6AP1HDAC4HDAC6MAPT

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-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-29 US disclosed
US-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-29 US disclosed
US-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-29 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-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE ATP6V1G1, ATP6V1E1, NR3C1 ATP6V1B1 22/4885ATP6AP1 6/4885HDAC4 304/4885

“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.