SCHEMBL2673282

SCHEMBL2673282

O=C(c1ccc(Br)o1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 6/20 0.66
MAPT P10636 6/20 0.65
USP2 O75604 3/20 0.65
MAPK1 P28482 3/20 0.65
HTT P42858 1/20 0.65
POLB P06746 1/20 0.60
LMNA P02545 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALOX15 P16050 2/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GFER P55789 1/20 0.54

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
SCHEMBL6035071 0.83 TSHR (0.59) TSHRALDH1A1MAPTUSP2MAPK1
SCHEMBL3150435 0.80 ALDH1A1 (0.59) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL3153541 0.79 TSHR (0.58) TSHRALDH1A1MAPTUSP2POLB
SCHEMBL3512817 0.79 MAOB (0.61) TSHRALDH1A1MAPTUSP2MAPK1
SCHEMBL1771402 0.78 KMT2A (0.59) TSHRALDH1A1MAPTMAPK1POLB
SCHEMBL6427542 0.78 ALDH1A1 (0.69) TSHRALDH1A1MAPTMAPK1HTT
SCHEMBL22738025 0.76 ALDH1A1 (0.77) TSHRALDH1A1MAPTMAPK1HTT
SCHEMBL24711247 0.76 ALDH1A1 (0.77) TSHRALDH1A1MAPTUSP2HTT
SCHEMBL27506976 0.75 TSHR (0.55) TSHRALDH1A1MAPTPOLBLMNA
SCHEMBL6599669 0.75 CHRNB2 (0.61) TSHRALDH1A1MAPTPOLBLMNA

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 7 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
CN-1960975-A Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors AVENTIS PHARMA INC (US) 2007-05-09 CN 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 TSHR 2825/4885ALDH1A1 280/4885MAPT 2438/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TSHR 2825/4885ALDH1A1 280/4885MAPT 2438/4885

“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.