SCHEMBL2345000

SCHEMBL2345000

CCC(C)OP(=O)(O)OCCN1CCN(c2c(C=O)c3ccccc3n2-c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
HTR7 P34969 6/20 0.32
DRD3 P35462 4/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
KDR P35968 2/20 0.31
HTR1A P08908 2/20 0.31

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
Hydrochloric Acid SCHEMBL2342696 0.99 MEN1 (0.35) MEN1KMT2AALDH1A1HTTHTR7
SCHEMBL2344982 0.92 PPARG (0.35) DRD3KDM4EMAPTDRD2HRH3
Hydrochloric Acid SCHEMBL2340480 0.91 PPARG (0.34) HTR7DRD3DRD2HRH3HTR1A
SCHEMBL2344994 0.83 MEN1 (0.37) MEN1KMT2AALDH1A1HTTHTR7
Hydrochloric Acid SCHEMBL2342693 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1HTTHTR7
SCHEMBL2343122 0.76 HTR6 (0.43) MEN1KMT2AALDH1A1HTTHTR7
Hydrochloric Acid SCHEMBL2342425 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HTTHTR7
Hydrochloric Acid SCHEMBL4941404 0.75 CHRNA7 (0.49) MEN1KMT2AALDH1A1HTTHTR7
SCHEMBL2344978 0.75 PPARG (0.38) MEN1KMT2ADRD3KDM4EDRD2
Hydrochloric Acid SCHEMBL2340476 0.75 PPARG (0.38) MEN1KMT2AHTR7DRD3KDM4E

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 MEN1 2781/4885KMT2A 801/4885ALDH1A1 449/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 MEN1 2940/4885KMT2A 207/4885ALDH1A1 304/4885

“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.