SCHEMBL2362870

SCHEMBL2362870

CCCCCn1c(Cl)c(C=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
RORB Q92753 1/20 0.49
CNR2 P34972 5/20 0.47
CNR1 P21554 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45

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
SCHEMBL27740711 0.96 PGR (0.54) PGRRORARORCRORBL3MBTL1
SCHEMBL27740712 0.83 ALDH1A1 (0.56) L3MBTL1KDM4EHTTLMNAHPGD
SCHEMBL9185016 0.83 MEN1 (0.60) CNR2CNR1HTTLMNASMN1; SMN2
SCHEMBL22898811 0.81 MEN1 (0.51) L3MBTL1KDM4EHTTLMNASMN1; SMN2
SCHEMBL29364099 0.81 MEN1 (0.51) L3MBTL1KDM4EHTTLMNASMN1; SMN2
SCHEMBL22367450 0.80 L3MBTL1 (0.55) PGRRORARORCRORBCNR2
SCHEMBL24522304 0.80 PTGER4 (0.58) L3MBTL1KDM4EHTTLMNAHPGD
SCHEMBL29363220 0.80 PTGER4 (0.58) L3MBTL1KDM4EHTTLMNAHPGD
SCHEMBL8742608 0.80 ALDH1A1 (0.59) PGRRORARORCRORBCNR2
SCHEMBL23581772 0.80 ALDH1A1 (0.59) PGRRORARORCRORBCNR2

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 6 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
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 PGR 1596/4885RORA 3799/4885RORC 4219/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 PGR 1564/4885RORA 2579/4885RORC 3123/4885

“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.