SCHEMBL85505

SCHEMBL85505

O=Cc1cc(=O)c2c(C(=O)O)ccc(Cl)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
CLCN2 P51788 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL13652078 0.83 ADRA2A (0.36) ADRA2ACLCN2ALDH1A1TSHRCASP1
SCHEMBL51829 0.81 MEN1 (0.51) ADRA2ACLCN2KDM4ETSHRCYP1A2
SCHEMBL13265695 0.74 PARP1 (0.50) KDM4EGRIK1GRIA1GRIA2GRIA3
SCHEMBL13606639 0.71 CDK1 (0.48) ADRA2ACLCN2KDM4EALDH1A1SMN1; SMN2
SCHEMBL85508 0.69 NGFR (0.48) ADRA2ACLCN2KDM4ETSHRCYP1A2
SCHEMBL8128591 0.66 TSHR (0.50) CLCN2KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL11420001 0.64 CYP1A2 (0.70) ADRA2ACLCN2KDM4EALDH1A1TSHR
SCHEMBL3022264 0.64 HCAR2 (0.41) ALDH1A1TSHRMAPTCYP1A2MEN1
SCHEMBL12760836 0.64 TSHR (0.48) CLCN2KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL16090292 0.64 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2CYP1A2HPGD

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
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2012-12-06 US disclosed
US-8129382-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2012-03-06 US disclosed
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2010-10-07 US disclosed
US-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis EISAI CORPORATION OF NORTH AMERICA (US) 2009-12-03 US disclosed
US-7456178-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2008-11-25 US disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 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 (4 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-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis PARP1, PARP2, NLRP3 ADRA2A 2424/4885CLCN2 4649/4885KDM4E 2880/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 ADRA2A 3169/4885CLCN2 4307/4885KDM4E 1640/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 ADRA2A 3248/4885CLCN2 4349/4885KDM4E 1571/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 ADRA2A 3248/4885CLCN2 4349/4885KDM4E 1571/4885

“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.