SCHEMBL4523723

SCHEMBL4523723

CC(C)C1N(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C=C(C(=O)O)c2[nH]c3ccccc3c2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 3/20 0.40
NR1H4 Q96RI1 9/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
CASP7 P55210 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4520698 0.91 NR1H4 (0.40) CASP1NR1H4
SCHEMBL4527486 0.90 NR1H4 (0.40) ALDH1A1KDM4ENR1H4MAPT
SCHEMBL4526606 0.89 NR1H4 (0.38) ALDH1A1KDM4ENR1H4
SCHEMBL4525379 0.88 NR1H4 (0.46) ALDH1A1KDM4ENR1H4MEN1ALOX15
SCHEMBL4523812 0.86 HRH4 (0.42) NR1H4GAATLR9TLR8TLR7
SCHEMBL4523445 0.86 NR1H4 (0.41) NR1H4GAA
SCHEMBL4528374 0.84 NR1H4 (0.38) NR1H4TLR9TLR8TLR7
SCHEMBL4528016 0.84 L3MBTL3 (0.40) ALDH1A1NR1H4
SCHEMBL4531385 0.84 CACNA2D1 (0.44) NR1H4
SCHEMBL4525870 0.83 NR1H4 (0.43) ALDH1A1NR1H4MAPTALOX15KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 ALDH1A1 622/4885KDM4E 3410/4885HPGD 682/4885

“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.