SCHEMBL5579279

SCHEMBL5579279

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
OGA O60502 1/20 0.44
HTT P42858 1/20 0.44
DPP4 P27487 1/20 0.43
MAT2A P31153 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL5579349 0.80 HDAC1 (0.49) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5737098 0.77 NPC1 (0.53) EPHX2POLBMAPTMEN1KMT2A
SCHEMBL17898129 0.76 KMT2A (0.57) EPHX2POLBMAPTMEN1KMT2A
SCHEMBL19844524 0.74 L3MBTL1 (0.68) POLBMAPTMEN1KMT2ANPC1
SCHEMBL19844525 0.74 L3MBTL1 (0.68) POLBMAPTMEN1KMT2ANPC1
SCHEMBL19844532 0.74 L3MBTL1 (0.68) POLBMAPTMEN1KMT2ANPC1
SCHEMBL19844533 0.74 L3MBTL1 (0.68) POLBMAPTMEN1KMT2ANPC1
Bromide SCHEMBL11429498 0.72 ALDH1A1 (0.58) POLBNPC1ALDH1A1GAAHTT
SCHEMBL23007438 0.71 CYP2C9 (0.47) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL25122224 0.71 CYP2C9 (0.47) POLBMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236756-B2 HIV protease inhibitory compounds with ameliorated solubility and/or bioavailability; conjugates of therapeutic compound and a peptide wherein the conjugate is cleavable by dipeptidyl-peptidases Consejo Superior de Investigaciones Clentificas (CSIC) (ES) 2012-08-07 US disclosed
US-20070275900-A1 Prodrugs Cleavable by Cd26 K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-11-29 US disclosed
US-20070275900-A1 Prodrugs Cleavable by Cd26 K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-11-29 US disclosed
EP-1620130-A1 PRODRUGS CLEAVABLE BY CD26 K.U. Leuven Research & Development (BE) 2006-02-01 EP disclosed
WO-2004098644-A1 PRODRUGS CLEAVABLE BY CD26 K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-11-18 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-20070275900-A1 Prodrugs Cleavable by Cd26 DPP4, DNPEP, DPP3 EPHX2 2006/4885POLB 4822/4885MAPT 2392/4885

“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.