SCHEMBL5457581

SCHEMBL5457581

COc1cc(N[C]=O)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TMPRSS4 Q9NRS4 2/20 0.46
EPHX2 P34913 1/20 0.46
P2RX1 P51575 1/20 0.42
SRC P12931 2/20 0.40
ZAP70 P43403 2/20 0.40
SYK P43405 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CDK2 P24941 3/20 0.38
CDK4 P11802 2/20 0.38
DHFR P00374 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY1 Q08828 1/20 0.37
MAPT P10636 1/20 0.37
RAPGEF4 Q8WZA2 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
SCHEMBL6560132 0.82 ALDH1A1 (0.50) MAPTAKR1C3AKR1C2
SCHEMBL131765 0.82 MAPT (0.46) TMPRSS4P2RX1MAPTRAPGEF4AKR1C3
SCHEMBL8171173 0.79 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL2200970 0.77 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL8199952 0.77 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL17671260 0.77 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL5457585 0.77 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL21965833 0.76 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL4763294 0.75 TMPRSS4 (0.57) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL5782136 0.75 ALDH1A1 (0.58) HDAC3HDAC1HDAC2HDAC6TMPRSS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HDAC3 376/4885HDAC1 83/4885HDAC2 599/4885

“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.