SCHEMBL2344441

SCHEMBL2344441

O=Cc1c(N2CCCCCC2)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.53
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTR6 P50406 1/20 0.40
KDR P35968 1/20 0.39
MAPK1 P28482 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL2340620 1.00 REN (0.53) RENHTTMEN1KMT2ALMNA
SCHEMBL2345474 0.89 REN (0.44) RENHTTMEN1KMT2ALMNA
SCHEMBL2345055 0.87 REN (0.56) RENHTTMEN1KMT2ALMNA
SCHEMBL8292274 0.86 KDM4E (0.41) RENHTTMEN1KMT2ALMNA
SCHEMBL2340514 0.86 LMNA (0.47) RENHTTMEN1KMT2ALMNA
SCHEMBL2340878 0.86 KDR (0.55) RENHTTMEN1KMT2AKDM4E
SCHEMBL2349349 0.86 REN (0.42) RENHTTMEN1KMT2ALMNA
SCHEMBL8292277 0.85 KDR (0.54) RENHTTMEN1KMT2AKDM4E
SCHEMBL8290595 0.82 REN (0.41) RENHTTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4941404 0.82 CHRNA7 (0.49) RENHTTMEN1KMT2ALMNA

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 16 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-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
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
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 REN 1290/4885HTT 417/4885MEN1 2781/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 REN 1677/4885HTT 626/4885MEN1 2940/4885

“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.