SCHEMBL4967413

SCHEMBL4967413

ON=C(CNc1cccc(-c2cnco2)c1)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDK2 Q15119 2/20 0.38
RHOA P61586 1/20 0.36
SLC9A1 P19634 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
NCF1 P14598 1/20 0.33
PRKCQ Q04759 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K4 O95819 1/20 0.32
BRAF P15056 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
IMPDH2 P12268 1/20 0.32
CASR P41180 1/20 0.32
SYK P43405 1/20 0.31
EPHX2 P34913 1/20 0.31
EDNRA P25101 1/20 0.31
CCR3 P51677 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
SCHEMBL14263249 1.00 HDAC1 (0.41) HDAC1HDAC6PDK2RHOASLC9A1
SCHEMBL4967406 1.00 HDAC1 (0.41) HDAC1HDAC6PDK2RHOASLC9A1
SCHEMBL4966757 0.91 PDK2 (0.37) HDAC1HDAC6PDK2SLC9A1MEN1
SCHEMBL14263248 0.91 PDK2 (0.37) HDAC1HDAC6PDK2SLC9A1MEN1
SCHEMBL4967035 0.91 PDK2 (0.37) HDAC1HDAC6PDK2SLC9A1MEN1
SCHEMBL4966794 0.88 RHOA (0.40) HDAC1HDAC6PDK2RHOASLC9A1
SCHEMBL4967009 0.86 BDKRB1 (0.31) EPHX2
SCHEMBL4967016 0.86 BDKRB1 (0.31) EPHX2
SCHEMBL14493794 0.81 RHOA (0.43) HDAC1HDAC6PDK2RHOABRD4
SCHEMBL4972749 0.80 CDK8 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US claimed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US claimed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO claimed
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO 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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 HDAC1 599/4885HDAC6 1341/4885PDK2 1668/4885

“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.