SCHEMBL2344306

SCHEMBL2344306

Cn1c(N2CCNCC2)c(C=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
LMNA P02545 7/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 8/20 0.48
CYP1A2 P05177 2/20 0.46
POLB P06746 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 7/20 0.43
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 5/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2313644 0.85 LMNA (0.51) LMNAGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8292294 0.82 HTR2A (0.50) HTR2AHTR2CLMNAALDH1A1SMN1; SMN2
SCHEMBL2340878 0.81 KDR (0.55) HTR2AHTR2CCYP1A2HTTKDM4E
SCHEMBL2361723 0.80 CNR2 (0.51) HTR2AHTR2CLMNAALDH1A1HTT
SCHEMBL8292277 0.80 KDR (0.54) HTR2AHTR2CCYP1A2HTTKDM4E
SCHEMBL2342897 0.79 HTR2A (0.47) HTR2AHTR2CLMNAALDH1A1SMN1; SMN2
SCHEMBL2342884 0.78 HTR6 (0.52) HTR2AHTR2C
SCHEMBL2340546 0.78 HTR6 (0.49) HTR2AHTR2CLMNAALDH1A1POLB
SCHEMBL8292301 0.77 HTR2A (0.47) HTR2AHTR2CLMNAALDH1A1CYP1A2
SCHEMBL2347551 0.77 HTR2A (0.47) HTR2AHTR2CLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007504238-A 2007-03-01 JP claimed
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN claimed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO claimed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US claimed
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 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-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 HTR2A 112/4885HTR2C 438/4885LMNA 255/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 HTR2A 174/4885HTR2C 639/4885LMNA 616/4885

“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.