SCHEMBL3208233

SCHEMBL3208233

COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.67
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 2/20 0.67
RCE1 Q9Y256 1/20 0.67
GAA P10253 3/20 0.58
PKM P14618 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
NLRP3 Q96P20 1/20 0.55
RECQL P46063 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3208212 0.82 MAPT (0.60) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL7651189 0.81 HPGD (1.00) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL13265799 0.80 ALDH1A1 (0.66) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL7655824 0.80 HPGD (0.61) HPGDALDH1A1KDM4EGAAPKM
SCHEMBL5597952 0.79 HPGD (0.73) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL13265975 0.78 HPGD (0.61) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL13265956 0.78 HPGD (0.60) HPGDALDH1A1KDM4ERCE1GAA
SCHEMBL26758023 0.77 ALDH1A1 (0.55) HPGDALDH1A1HTTKMT2AMEN1
SCHEMBL6940015 0.75 KMT2A (0.84) HPGDALDH1A1GAAPKMKMT2A
SCHEMBL2061565 0.75 TDP1 (0.66) ALDH1A1KDM4EGAAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885ALDH1A1 1897/4885KDM4E 3028/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885ALDH1A1 1897/4885KDM4E 3028/4885

“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.