SCHEMBL4931319

SCHEMBL4931319

COc1ccc2oc(=O)cc(C)c2c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 8/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PIM1 P11309 1/20 0.46
DYRK1A Q13627 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
MCL1 Q07820 3/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4922942 0.81 ALPL (0.44) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4929327 0.81 PIM1 (0.64) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11227296 0.78 MCL1 (0.68) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4927734 0.74 PIM1 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9923795 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL21623584 0.72 EPHX2 (0.48) ALDH1A1KDM4EHPGDLMNATDP1
SCHEMBL29396391 0.71 TDP1 (0.62) ALDH1A1KDM4EHSD17B10LMNATDP1
SCHEMBL1179747 0.71 TDP1 (0.62) ALDH1A1KDM4EHSD17B10LMNATDP1
SCHEMBL2309314 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNATDP1
SCHEMBL415237 0.70 TDP1 (0.53) ALDH1A1KDM4ELMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT ALDH1A1 181/4885KDM4E 1183/4885HPGD 296/4885

“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.