SCHEMBL2904971

SCHEMBL2904971

NC(=O)COc1ccc(CO)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDK2 Q15119 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TBXAS1 P24557 1/20 0.41
RAB9A P51151 2/20 0.41
ACACA Q13085 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 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
SCHEMBL26093046 0.81 KMT2A (0.41) MEN1KMT2AMAPT
SCHEMBL2904798 0.80 PTGS2 (0.47) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL6326032 0.78 NPC1 (0.52) POLBTDP1MEN1KMT2ARAB9A
SCHEMBL25283935 0.78 GAA (0.54) POLBTBXAS1MAPTMAPK1TP53
SCHEMBL30404770 0.78 GAA (0.54) POLBTBXAS1MAPTMAPK1TP53
SCHEMBL10506137 0.77 MEN1 (0.58) POLBBLMTDP1MEN1KMT2A
SCHEMBL8555612 0.76 PTPN1 (0.43) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL14480251 0.76 POLB (0.41) POLBBLMTDP1PDK2MEN1
SCHEMBL23554538 0.74 NQO1 (0.50) TDP1KMT2ANPC1MAPT
SCHEMBL3371954 0.74 MEN1 (0.51) POLBBLMTDP1MEN1KMT2A

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
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 POLB 4476/4885BLM 1828/4885TDP1 3846/4885

“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.