SCHEMBL4229181

SCHEMBL4229181

COc1cc([N+](=O)[O-])ccc1Oc1ccc(N)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 3/20 0.69
MAPT P10636 3/20 0.69
KMT2A Q03164 3/20 0.69
PDE7A Q13946 2/20 0.68
HTT P42858 2/20 0.62
TDP1 Q9NUW8 1/20 0.60
HSPB1 P04792 2/20 0.50
TTR P02766 2/20 0.49
CYP19A1 P11511 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL4687037 0.91 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL310869 0.88 HTT (0.62) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL4229377 0.87 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL4237867 0.85 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL3811331 0.85 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL30222321 0.85 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL9321063 0.84 ALDH1A1 (0.67) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL4238016 0.84 KMT2A (0.71) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL4232662 0.83 HTT (0.60) ALDH1A1MEN1MAPTKMT2APDE7A
SCHEMBL2028009 0.83 HTT (0.58) ALDH1A1MEN1MAPTKMT2AHTT

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-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-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 4542/4885MEN1 2447/4885MAPT 1398/4885

“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.