SCHEMBL1013779

SCHEMBL1013779

CC(C)(C)OC(=O)NCc1cccc(-c2ccoc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.49
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.48
HDAC1 Q13547 1/20 0.46
GLS O94925 3/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
KDM4A O75164 1/20 0.42
AOC3 Q16853 2/20 0.41
NAMPT P43490 3/20 0.40
CCKBR P32239 1/20 0.40
PADI3 Q9ULW8 1/20 0.39
PADI4 Q9UM07 1/20 0.39

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
SCHEMBL12303948 0.88 NQO2 (0.45) SERPINE1CTSKCTSBCTSSNAMPT
SCHEMBL30504293 0.87 HDAC1 (0.56) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL2569299 0.85 HDAC1 (0.49) HDAC1CTSKCTSSNAMPT
SCHEMBL18664426 0.84 HDAC1 (0.60) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL16410240 0.83 BRD4 (0.53) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL2572109 0.82 HDAC1 (0.52) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL16410438 0.81 BRD4 (0.51) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL2568359 0.81 HDAC1 (0.56) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL1016234 0.81 PRMT6 (0.58) BRD4CREBBPHDAC1GLSCTSK
SCHEMBL28275382 0.80 SERPINE1 (0.47) SERPINE1HDAC1AOC3PADI3PADI4

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-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 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 (2 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 SERPINE1 1066/4885BRD4 358/4885CREBBP 3495/4885
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 SERPINE1 1/4885BRD4 2049/4885CREBBP 1916/4885

“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.