SCHEMBL14964150

SCHEMBL14964150

Bc1cc([N+](=O)[O-])ccc1N(CCC)CCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 3/20 0.50
HCAR3 P49019 2/20 0.49
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
CYP19A1 P11511 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A3 P47895 2/20 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
SCHEMBL6395129 0.83 ALDH3A1 (0.67) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL6819324 0.81 ALDH3A1 (0.55) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL13357839 0.80 ALDH3A1 (0.46) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL6929818 0.79 ALDH3A1 (0.58) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL5692166 0.73 MAPT (0.62) ALDH3A1MAPTALDH1A1TDP1TSHR
SCHEMBL16583893 0.73 MAPT (0.50) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL13174835 0.72 ALDH1A1 (0.45) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL7567118 0.72 ALDH3A1 (0.53) ALDH3A1HCAR3HTTTP53CYP19A1
SCHEMBL14964149 0.71 ALDH1A1 (0.39) ALDH3A1HCAR3HTTTP53MAPT
Ethane SCHEMBL3302283 0.71 MAPT (0.60) ALDH3A1MAPTALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 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 (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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH3A1 3743/4885HCAR3 146/4885HTT 1943/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH3A1 3743/4885HCAR3 146/4885HTT 1943/4885

“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.