SCHEMBL4229158

SCHEMBL4229158

COc1cc(Oc2ccc(N)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE7A Q13946 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.48
TDP1 Q9NUW8 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.45
SIRT6 Q8N6T7 1/20 0.45
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MERTK Q12866 1/20 0.43
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL10817393 0.91 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL311726 0.90 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2APDE7A
SCHEMBL16792372 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7937740 0.85 TDP1 (0.50) ALDH1A1MAPTMEN1KMT2APDE7A
SCHEMBL358064 0.84 TDP1 (0.58) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7005240 0.84 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14375448 0.84 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2APDE7A
SCHEMBL30317911 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APDE7A
SCHEMBL1298266 0.83 MERTK (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4142866 0.82 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885MAPT 1398/4885MEN1 2447/4885

“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.