SCHEMBL2345232

SCHEMBL2345232

O=C1Cc2ccccc2N1c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
HTT P42858 2/20 0.53
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP11B2 P19099 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ELANE P08246 1/20 0.44
PKM P14618 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
AR P10275 1/20 0.43
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
TNKS O95271 1/20 0.41

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
SCHEMBL29899602 1.00 HPGD (0.68) HPGDHTTGAAMAPTHSD17B10
SCHEMBL17979388 0.86 HTT (0.51) HPGDHTTGAAMAPTHSD17B10
SCHEMBL11096011 0.84 HTT (0.49) HPGDHTTGAAMAPTHSD17B10
SCHEMBL31422646 0.81 HPGD (1.00) HPGDGAAALDH1A1L3MBTL1PKM
SCHEMBL143970 0.81 HPGD (1.00) HPGDGAAALDH1A1L3MBTL1PKM
SCHEMBL2345043 0.80 MAPT (0.48) HPGDHTTGAAMAPTHSD17B10
SCHEMBL1149992 0.79 HPGD (0.65) HPGDHTTGAAMAPTHSD17B10
SCHEMBL1150061 0.79 HPGD (0.65) HPGDHTTGAAMAPTHSD17B10
SCHEMBL27481595 0.77 HPGD (0.53) HPGDGAACYP11B2ALDH1A1L3MBTL1
SCHEMBL26102654 0.76 HPGD (0.51) HPGDGAAMAPTALDH1A1PKM

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 HPGD 490/4885HTT 417/4885GAA 2614/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 HPGD 549/4885HTT 626/4885GAA 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.