SCHEMBL4188501

SCHEMBL4188501

COc1ccccc1CCNC(=O)NC1CCc2cc(C(=O)Nc3ccccc3N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC3 O15379 3/20 0.50
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NAMPT P43490 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4188921 0.92 HDAC1 (0.51) HDAC1HDAC2HDAC3PDE4APDE4B
SCHEMBL4184370 0.89 HDAC1 (0.43) HDAC1HDAC2HDAC3PDE4APDE4B
SCHEMBL4186856 0.88 HDAC1 (0.44) HDAC1HDAC2HDAC3TAS1R3TAS1R1
SCHEMBL4188480 0.87 EPHX2 (0.42) HDAC1HDAC2HDAC3TAS1R3TAS1R1
SCHEMBL4195363 0.87 HDAC1 (0.52) HDAC1HDAC2HDAC3SMN1; SMN2HDAC6
SCHEMBL13653271 0.86 ABCB1 (0.47) HDAC1HDAC2HDAC3KMT2AALDH1A1
SCHEMBL13653250 0.86 KMT2A (0.58) HDAC1HDAC2HDAC3PDE4APDE4B
SCHEMBL4183442 0.85 EPHX2 (0.54) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL4188365 0.84 TRPV1 (0.48) HDAC1HDAC2HDAC3
SCHEMBL4184419 0.84 EPHX2 (0.46) HDAC1HDAC2HDAC3HDAC6

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
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 HDAC1 579/4885HDAC2 641/4885HDAC3 1045/4885

“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.