SCHEMBL3565728

SCHEMBL3565728

[c]1noc(NCCCN2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 4/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
RAD52 P43351 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PIM1 P11309 1/20 0.44
HPGD P15428 2/20 0.44
DUSP3 P51452 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13116701 0.74 KDM4E (0.47) KDM4EGAAKMT2APOLBLMNA
SCHEMBL949299 0.71 KDM4E (0.48) KDM4EGAAKMT2APOLBLMNA
SCHEMBL951715 0.70 KDM4E (0.49) KDM4EGAAKMT2APOLBLMNA
SCHEMBL5596422 0.69 CDK4 (0.47) KDM4EGAAKMT2APOLBLMNA
SCHEMBL721355 0.68 PAOX (0.64) KDM4EGAAKMT2ALMNARAB9A
SCHEMBL18699224 0.68 HTR1A (0.56) KDM4EGAAKMT2APOLBLMNA
SCHEMBL996593 0.68 RAB9A (0.50) KDM4EGAAKMT2APOLBLMNA
SCHEMBL12691621 0.68 KMT2A (0.51) KDM4EGAAKMT2APOLBLMNA
SCHEMBL6649751 0.68 CYP2C19 (0.65) KDM4EGAAKMT2APOLBLMNA
SCHEMBL13397875 0.68 KDM4E (0.51) KDM4EGAAKMT2APOLBLMNA

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
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US claimed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP claimed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 US claimed
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 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-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof PNPO, CYP2D6, DPYD KDM4E 3074/4885GAA 3798/4885KMT2A 3979/4885

“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.