SCHEMBL4969666

SCHEMBL4969666

O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1ccc(-c2ccno2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HDAC4 P56524 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
BDKRB1 P46663 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
NAMPT P43490 3/20 0.33
RORC P51449 1/20 0.33
CETP P11597 1/20 0.33
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL4965996 0.90 TP53 (0.37) EPHX2POLBKMT2AMEN1HDAC4
SCHEMBL4967217 0.85 IMPDH2 (0.46) EPHX2POLBKMT2AMEN1HDAC4
SCHEMBL981548 0.83 EPHX2 (0.40) EPHX2HDAC4NPC1MAPTRAB9A
SCHEMBL986328 0.83 NR3C1 (0.40) EPHX2POLBKMT2AMEN1
SCHEMBL4966906 0.80 EPHX2 (0.33) EPHX2POLBKMT2AMEN1HDAC4
SCHEMBL4966914 0.80 EPHX2 (0.33) EPHX2POLBKMT2AMEN1HDAC4
SCHEMBL14493794 0.76 RHOA (0.43) EPHX2NAMPT
SCHEMBL4967016 0.72 BDKRB1 (0.31) EPHX2HDAC4BDKRB1
SCHEMBL4967009 0.72 BDKRB1 (0.31) EPHX2HDAC4BDKRB1
SCHEMBL984225 0.72 HDAC4 (0.49) EPHX2POLBKMT2AMEN1HDAC4

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 4 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

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 EPHX2 1311/4885POLB 4531/4885KMT2A 4322/4885

“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.