SCHEMBL4227907

SCHEMBL4227907

CCC(CC)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.55
KMT2A Q03164 12/20 0.55
MAPT P10636 8/20 0.47
HTT P42858 4/20 0.47
MAPK1 P28482 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
TBXA2R P21731 2/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
DDX3X O00571 2/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NPC1 O15118 3/20 0.44
HSP90AA1 P07900 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL4236591 0.89 PKM (0.53) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4233910 0.87 MEN1 (0.54) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4235514 0.84 MEN1 (0.56) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4686933 0.84 KMT2A (0.65) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4686928 0.84 KMT2A (0.65) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4239097 0.83 PKM (0.45) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4228345 0.82 MAPT (0.53) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4786650 0.82 TBXA2R (0.61) MEN1KMT2AMAPTTBXA2R
SCHEMBL4229236 0.82 KMT2A (0.44) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL4233889 0.78 KMT2A (0.52) MEN1KMT2AMAPTHTTMAPK1

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 MEN1 2447/4885KMT2A 3436/4885MAPT 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.