SCHEMBL5652631

SCHEMBL5652631

O=c1[nH]ccc2c1ccc1[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
BLM P54132 2/20 0.48
PARP15 Q460N3 2/20 0.48
CYP2C9 P11712 2/20 0.48
RAB9A P51151 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
TNKS O95271 1/20 0.40
GPR3 P46089 1/20 0.40
PMP22 Q01453 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL981139 0.83 PARP1 (0.48) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2398840 0.80 AHR (0.52) PARP1AHR
SCHEMBL4146416 0.76 PDE3B (0.44) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL27725649 0.72 PARP1 (0.49) PARP1ALDH1A1TNKS2GSK3BDYRK1A
SCHEMBL13169229 0.72 PARP1 (0.70) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL29913614 0.72 PARP1 (0.70) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL1314486 0.71 SIRT2 (0.59) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL4927890 0.70 NCOA1 (0.44) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3238795 0.70 GSK3B (0.53) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2126075 0.70 HPRT1 (0.58) PARP1ALDH1A1KDM4EHSD17B10LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677786-A Metal complex, organic electroluminescent element and consumer product 北京八亿时空液晶科技股份有限公司 2023-02-03 CN disclosed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 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 (1 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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR2C, HTR5A, HTR6 PARP1 2857/4885ALDH1A1 1743/4885KDM4E 3935/4885

“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.