SCHEMBL532062

SCHEMBL532062

O=C1COc2ccc(C(=O)N3CCOCC3)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.61
HPGD P15428 1/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
PKM P14618 2/20 0.55
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
MGLL Q99685 1/20 0.53
CNR1 P21554 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
MAPK1 P28482 1/20 0.49
SMYD3 Q9H7B4 1/20 0.49

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
SCHEMBL6415562 0.90 HPGD (0.58) NR3C2HPGDLMNAALDH1A1MAPT
SCHEMBL14072961 0.88 NR3C2 (0.61) NR3C2HPGDLMNAALDH1A1MAPT
SCHEMBL14072967 0.86 HPGD (0.65) NR3C2HPGDLMNAALDH1A1MAPT
SCHEMBL21086327 0.82 NR3C2 (0.54) NR3C2HPGDLMNAALDH1A1MAPT
SCHEMBL30541698 0.82 NR3C2 (0.54) NR3C2HPGDLMNAALDH1A1MAPT
SCHEMBL532439 0.81 ALDH1A1 (0.64) NR3C2ALDH1A1MAPTPKMGAA
SCHEMBL531796 0.81 PARP1 (0.62) NR3C2LMNAALDH1A1MAPTPKM
SCHEMBL22491427 0.81 ALDH1A1 (0.54) NR3C2LMNAALDH1A1MAPTPKM
SCHEMBL12125324 0.81 ALDH1A1 (0.65) NR3C2LMNAALDH1A1MAPTPKM
SCHEMBL531974 0.80 PARP1 (0.62) NR3C2LMNAALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 NR3C2 2939/4885HPGD 89/4885LMNA 1488/4885
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 NR3C2 4674/4885HPGD 247/4885LMNA 173/4885

“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.