SCHEMBL3208212

SCHEMBL3208212

COc1ccccc1CNCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RECQL P46063 1/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
GAA P10253 2/20 0.55
HTT P42858 2/20 0.54
KDM4E B2RXH2 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL3208233 0.82 HPGD (0.67) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3594550 0.80 MEN1 (0.50) MAPTALDH1A1MEN1KMT2APTPN11
SCHEMBL3594332 0.79 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3198039 0.78 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3215060 0.77 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3596469 0.75 CYP3A4 (0.54) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL5695121 0.74 ALDH1A1 (0.79) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3594118 0.73 GAA (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL269845 0.73 TDP1 (1.00) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL3462835 0.73 TDP1 (1.00) MAPTALDH1A1MEN1KMT2ARECQL

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 MAPT 73/4885ALDH1A1 1897/4885MEN1 2777/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MAPT 73/4885ALDH1A1 1897/4885MEN1 2777/4885

“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.