SCHEMBL2345291

SCHEMBL2345291

O=Cc1c(Cl)n(-c2cccc(Cl)c2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOD2 Q9HC29 1/20 0.41
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
PMM2 O15305 1/20 0.39
G6PD P11413 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2343332 0.88 FGFR1 (0.45) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL29954953 0.87 KDM4E (0.52) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2343158 0.87 KDM4E (0.52) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2341920 0.87 MAPT (0.48) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2343043 0.87 MAT2A (0.39) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2351229 0.87 MEN1 (0.42) NPSR1MAPTHTTSMN1; SMN2NOD2
SCHEMBL2348590 0.85 CYP1A2 (0.46) NPSR1HTTSMN1; SMN2FGFR1POLB
SCHEMBL2345150 0.84 NPSR1 (0.49) NPSR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2349601 0.84 LMNA (0.40) KDM4ESMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL27651983 0.84 LMNA (0.38) NPSR1KDM4EMAPTHTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 NPSR1 496/4885KDM4E 1305/4885GAA 2614/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 NPSR1 650/4885KDM4E 273/4885GAA 1923/4885

“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.