SCHEMBL4234485

SCHEMBL4234485

COC(=O)c1cccc(Cc2c(C)n[nH]c2C)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.72
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
TTR P02766 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
MPO P05164 1/20 0.49
P2RX7 Q99572 1/20 0.47
PARP1 P09874 1/20 0.47
SLC7A5 Q01650 1/20 0.46
NPC1 O15118 1/20 0.46
DHFR P00374 1/20 0.45

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
SCHEMBL13653836 0.85 MEN1 (0.70) ARMEN1KMT2ALMNATTR
SCHEMBL4229319 0.84 AR (1.00) ARMEN1KMT2ALMNATTR
SCHEMBL9236088 0.77 LOXL2 (0.49) MEN1KMT2ALMNALOXL2CYP4F2
SCHEMBL12797648 0.75 LOXL2 (0.64) MEN1KMT2ALOXL2CYP4F2CYP4A11
SCHEMBL2069334 0.74 LOXL2 (0.68) LMNALOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL1165128 0.74 NR1H2 (0.60) LMNALOXL2CYP4F2CYP4A11MPO
SCHEMBL4236539 0.74 AR (0.60) ARMEN1KMT2ALMNATTR
SCHEMBL13665692 0.73 MEN1 (0.52) ARMEN1KMT2ALMNAP2RX7
SCHEMBL9231896 0.72 DHODH (0.46) KMT2ALMNALOXL2CYP4F2CYP4A11
SCHEMBL1774454 0.72 LMNA (0.66) ARMEN1KMT2ALMNATTR

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-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885MEN1 2774/4885KMT2A 3457/4885

“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.