SCHEMBL3215060

SCHEMBL3215060

COc1ccccc1CNCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
HTR1A P08908 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
LMNA P02545 1/20 0.53
CHRM2 P08172 8/20 0.53

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
SCHEMBL3197983 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL3200688 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL29274259 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL5627138 0.82 MAPT (0.63) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL5695121 0.82 ALDH1A1 (0.79) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL30919367 0.80 MEN1 (0.58) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL15709294 0.80 MEN1 (0.58) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL6260274 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL17287290 0.79 ALDH1A1 (0.64) ALDH1A1KDM4ECYP3A4CYP2D6MEN1
SCHEMBL29633079 0.79 ALDH1A1 (0.64) ALDH1A1KDM4ECYP3A4CYP2D6MEN1

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 ALDH1A1 1897/4885KDM4E 3028/4885L3MBTL1 3798/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885KDM4E 3028/4885L3MBTL1 3798/4885

“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.