SCHEMBL4928061

SCHEMBL4928061

O=c1ccc2c([N+](=O)[O-])c(CBr)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
MCL1 Q07820 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNA3 P22001 2/20 0.36
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 5/20 0.35
NCOA1 Q15788 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.34
CYP2A6 P11509 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL4917929 0.82 LMNA (0.35) LMNAMCL1MAOAMAOBKCNA3
SCHEMBL4923112 0.82 HNF4A (0.39) LMNAMCL1MAOAMAOBKCNA3
SCHEMBL4923328 0.76 ALDH1A1 (0.47) LMNAMCL1MAOAMAOBALDH1A1
SCHEMBL4929969 0.75 MAPT (0.38) LMNAMCL1KCNA3KCNA5ALDH1A1
SCHEMBL11350432 0.68 TSHR (0.57) LMNAALDH1A1MAPTCYP2A6MEN1
SCHEMBL29844402 0.68 TSHR (0.57) LMNAALDH1A1MAPTCYP2A6MEN1
SCHEMBL4918135 0.68 MAPT (0.51) LMNAMCL1MAOAMAOBALDH1A1
SCHEMBL2027979 0.67 ALDH1A1 (0.46) LMNAALDH1A1HPGD
SCHEMBL13799209 0.67 ALDH1A1 (0.45) LMNAMCL1MAOAMAOBALDH1A1
SCHEMBL14264177 0.67 TDP1 (0.44) LMNAMAOAMAOBKCNA3KCNA5

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 LMNA 1952/4885MCL1 1520/4885MAOA 1/4885

“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.