SCHEMBL2674102

SCHEMBL2674102

NCCN1CCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ACE P12821 7/20 0.41
CYP2C19 P33261 2/20 0.40
REN P00797 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SLC6A1 P30531 1/20 0.39

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
SCHEMBL5017113 1.00 CYP1A2 (0.41) CYP1A2ACECYP2C19RENLMNA
SCHEMBL6516948 1.00 CYP1A2 (0.41) CYP1A2ACECYP2C19RENLMNA
SCHEMBL13545424 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19LMNASLC6A1
SCHEMBL9090390 0.89 ACE (0.41) CYP1A2ACECYP2C19RENLMNA
SCHEMBL9090397 0.89 ACE (0.41) CYP1A2ACECYP2C19RENLMNA
SCHEMBL1645702 0.86 ACE (0.39) CYP1A2ACECYP2C19
SCHEMBL17052427 0.84 ACE (0.43) CYP1A2ACECYP2C19RENLMNA
SCHEMBL28452245 0.84 ACE (0.43) CYP1A2ACECYP2C19RENLMNA
SCHEMBL25030103 0.83 SLC6A9 (0.40) CYP1A2CYP2C19LTA4HSMN1; SMN2RAB9A
SCHEMBL25030104 0.83 SLC6A9 (0.40) CYP1A2CYP2C19LTA4HSMN1; SMN2RAB9A

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
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CYP1A2 591/4885ACE 691/4885CYP2C19 556/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CYP1A2 591/4885ACE 691/4885CYP2C19 556/4885

“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.