SCHEMBL3064637

SCHEMBL3064637

C=CCOc1ccc(CCl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.43
ALPG P10696 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
S1PR4 O95977 1/20 0.39
PKM P14618 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL3073577 0.86 TTR (0.48) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL11684161 0.82 ALDH1A1 (0.46) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL11683638 0.82 ALDH1A1 (0.42) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL11681910 0.81 LMNA (0.48) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL10714683 0.81 ALDH1A1 (0.52) MAPTHTTALDH1A1CYP1A2CYP3A4
SCHEMBL29749978 0.81 ALDH1A1 (0.52) MAPTHTTALDH1A1CYP1A2CYP3A4
SCHEMBL5913106 0.81 MAPT (0.64) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL8114079 0.80 LMNA (0.42) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL28338065 0.80 CYP3A4 (0.40) MAPTHTTRAB9AALDH1A1CYP1A2
SCHEMBL5640740 0.79 CYP1A2 (0.60) MAPTRAB9AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885HTT 4130/4885RAB9A 1066/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885HTT 4130/4885RAB9A 1066/4885

“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.