SCHEMBL4782265

SCHEMBL4782265

CC(C)(C)ON(C=O)C(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
CASP3 P42574 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ACHE P22303 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL4895988 0.79 OPRK1 (0.38) MEN1KMT2A
SCHEMBL4894642 0.77 HEXA (0.43) CASP3KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6400372 0.76 OPRK1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL4729192 0.76 OPRK1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL4891509 0.74 L3MBTL1 (0.40) ALDH1A1HPGDTDP1L3MBTL1MEN1
SCHEMBL8530952 0.71 KMT2A (0.34) ALDH1A1MEN1KMT2A
SCHEMBL7005420 0.71 CNR2 (0.40) ALDH1A1L3MBTL1
SCHEMBL6165008 0.71 TAAR1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL8827814 0.71 TAAR1 (0.38) MEN1KMT2A
SCHEMBL8109703 0.70 TDP1 (0.57) MAOBCASP3ALDH1A1TDP1ACHE

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MAOB 1532/4885CASP3 600/4885KDM4E 1212/4885

“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.