SCHEMBL4188741

SCHEMBL4188741

O=C(O)Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)CCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
KCNH2 Q12809 2/20 0.45
HDAC8 Q9BY41 1/20 0.41
NPY5R Q15761 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
NAMPT P43490 1/20 0.39
PARP1 P09874 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL4190946 0.91 HDAC1 (0.50) HDAC1KCNH2HDAC8CYP3A4NAMPT
SCHEMBL13653155 0.88 NPY5R (0.43) HDAC1KCNH2HDAC8NPY5RCYP3A4
SCHEMBL5186028 0.85 HDAC8 (0.40) HDAC1KCNH2HDAC8NPY5RCYP1A2
SCHEMBL4185657 0.84 KMT2A (0.45) ALDH1A1TSHRKMT2APOLBMEN1
SCHEMBL4185784 0.82 HDAC1 (0.48) HDAC1HDAC8
SCHEMBL27707651 0.79 NPY5R (0.39) KCNH2HDAC8NPY5RALDH1A1TSHR
SCHEMBL4186869 0.78 NAMPT (0.48) NAMPTTRPV1NR3C1
SCHEMBL4184531 0.77 CA12 (0.50) ALDH1A1KMT2AMEN1TRPV1
SCHEMBL4187020 0.77 HDAC1 (0.61) HDAC1HDAC8CYP3A4ALDH1A1KMT2A
SCHEMBL13653113 0.76 HDAC1 (0.60) HDAC1KCNH2HDAC8CYP3A4NAMPT

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-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
EP-1802577-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006062580-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 HDAC1 579/4885KCNH2 2784/4885HDAC8 191/4885

“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.