SCHEMBL14072015

SCHEMBL14072015

CCOC(=O)c1nc(-c2ccccc2)cc(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
XDH P47989 2/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.51
CCR6 P51684 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGDS O60760 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL14072013 0.79 XDH (0.60) SMN1; SMN2XDHKDM4EMAPK1ALDH1A1
SCHEMBL4884328 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPK1TDP1L3MBTL1
SCHEMBL5063121 0.77 RAB9A (0.61) SMN1; SMN2KDM4EMAPK1TDP1L3MBTL1
SCHEMBL14080308 0.75 XDH (0.58) SMN1; SMN2XDHKDM4EMAPK1ALDH1A1
SCHEMBL986977 0.75 CCR6 (0.55) SMN1; SMN2KDM4EMAPK1TDP1L3MBTL1
SCHEMBL9323981 0.74 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL30925072 0.73 NPC1 (0.57) SMN1; SMN2KDM4EMAPK1TDP1L3MBTL1
SCHEMBL29214354 0.73 NPC1 (0.57) SMN1; SMN2KDM4EMAPK1TDP1L3MBTL1
SCHEMBL4643669 0.73 GSK3B (0.72) SMN1; SMN2XDHKDM4EMAPK1ALDH1A1
SCHEMBL30782682 0.72 BRD4 (0.55) SMN1; SMN2KDM4EALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109178-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (2 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 SMN1; SMN2 1265/4885XDH 426/4885KDM4E 685/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 SMN1; SMN2 1734/4885XDH 298/4885KDM4E 572/4885

“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.