SCHEMBL5062569

SCHEMBL5062569

O=C1c2ccccc2[CH]N1c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 5/20 0.42
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
MAPK1 P28482 2/20 0.40
VHL P40337 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 1/20 0.38
PDCD1 Q15116 1/20 0.38

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
SCHEMBL30817653 0.75 ALDH1A1 (0.73) ALDH1A1KDM4EGAAMEN1PKM
SCHEMBL30817652 0.75 ALDH1A1 (0.73) ALDH1A1KDM4EGAAMEN1PKM
SCHEMBL7479419 0.75 ALDH1A1 (0.73) ALDH1A1KDM4EGAAMEN1PKM
SCHEMBL11192708 0.73 GAA (0.46) ALDH1A1GAAMEN1PKMKMT2A
SCHEMBL7329652 0.69 MEN1 (0.31) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28009909 0.68 SMN1; SMN2 (0.48) ALDH1A1KDM4EGAASMN1; SMN2EP300
SCHEMBL28379997 0.66 SMN1; SMN2 (0.55) ALDH1A1KDM4EGAASMN1; SMN2EP300
SCHEMBL28663483 0.65 POLB (0.59) ALDH1A1KDM4EGAAMEN1PKM
SCHEMBL29714525 0.65 POLB (0.59) ALDH1A1KDM4EGAAMEN1PKM
SCHEMBL1977844 0.64 CD274 (0.45) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US claimed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP claimed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US claimed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO claimed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALDH1A1 1907/4885KDM4E 1567/4885GAA 2830/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALDH1A1 1907/4885KDM4E 1567/4885GAA 2830/4885

“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.