SCHEMBL5529262

SCHEMBL5529262

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2nccc3cc[nH]c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
ESRRG P62508 2/20 0.34
CENPE Q02224 1/20 0.34
GRM5 P41594 2/20 0.33
NR1I3 Q14994 1/20 0.33
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PIN1 Q13526 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
THRB P10828 1/20 0.32
MAOB P27338 1/20 0.32
ESRRB O95718 1/20 0.32
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 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
SCHEMBL5532077 0.92 SLC6A9 (0.34) HDAC6ESRRGCENPEGRM5PIN1
SCHEMBL5526900 0.91 KDM4A (0.39) HDAC6CDK8KDM4AKDM5AKDM5B
SCHEMBL5529652 0.88 ESRRG (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5530770 0.88 GRM5 (0.38) ESRRGCENPEGRM5NR1I3CDK8
SCHEMBL5530315 0.87 LMNA (0.38) HDAC6ESRRGGRM5PIN1TP53
SCHEMBL5531740 0.87 PIN1 (0.45) HDAC6ESRRGGRM5PIN1MAPT
SCHEMBL5525832 0.87 HDAC6 (0.34) HDAC6ESRRGCENPENR1I3CLK4
SCHEMBL5529661 0.86 TP53 (0.43) HDAC6ESRRGGRM5PIN1TP53
SCHEMBL5530729 0.85 NR3C2 (0.39) HDAC6ESRRGGRM5CDK8TP53
SCHEMBL5530101 0.85 TRPM8 (0.34) ESRRGCENPENR1I3CDK8CLK4

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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US claimed
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US 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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi APOB, CETP, LIPC HDAC6 2221/4885ESRRG 2624/4885CENPE 4612/4885

“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.