SCHEMBL1740949

SCHEMBL1740949

CCc1cc(Br)c(C)nc1OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PRNP P04156 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ CRHR1 P34998 2/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL11917199 0.78 GRM1 (0.36) ALDH1A1RXFP1HPGDGRM1NQO2
SCHEMBL9432009 0.76 CD274 (0.38) GRM1GAAAPOBEC3GAPOBEC3A
SCHEMBL8159138 0.75 GRM1 (0.41) TSHRALDH1A1GRM1NQO2MAPK1
SCHEMBL2674878 0.75 L3MBTL1 (0.50) TSHRALDH1A1MAPTHPGDMAPK1
SCHEMBL2672810 0.74 POLB (0.44) ALDH1A1HPGDGRM1GAAMAPK1
SCHEMBL1741630 0.74 GAA (0.50) ALDH1A1HPGDGAAMAPK1LMNA
SCHEMBL2472952 0.73 LMNA (0.39) ALDH1A1HPGDAPOBEC3GP2RX3P2RX2
SCHEMBL22264554 0.73 NQO2 (0.37) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL22833476 0.73 PIK3CA (0.37) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL22595837 0.73 POLB (0.35) GRM1GAAAPOBEC3GAPOBEC3ACRHR1

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 38 patents — showing the first 20. 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 claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
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-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-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — 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-20070281948-A1 SUBSTITUTED 2-PYRIDONE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-06 — — US disclosed
EP-1802578-A1 3,6-SUBSTITUTED 5-ARYLAMINO-1H-PYIDINE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS IN THE TREATMENT OF TISSUE DAMAGE OR DISEASE CAUSED BY NECROSIS OR APOPTOSIS Sanofi-Aventis Deutschland GmbH (DE) 2007-07-04 — — EP disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
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-2006042638-A1 3,6-SUBSTITUTED 5-ARYLAMINO-1H-PYIDINE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS IN THE TREATMENT OF TISSUE DAMAGE OR DISEASE CAUSED BY NECROSIS OR APOPTOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-04-27 — — WO 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 (3 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 TSHR 2825/4885ALDH1A1 280/4885PRNP 263/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TSHR 2825/4885ALDH1A1 280/4885PRNP 263/4885
US-20070281948-A1 SUBSTITUTED 2-PYRIDONE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENT PARP3, PARP1, PARP2 TSHR 1608/4885ALDH1A1 526/4885PRNP 911/4885

“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.

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