SCHEMBL4534837

SCHEMBL4534837

CN(C1CCC(CNC(=O)O)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPY1R P25929 3/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL13934803 0.87 MEN1 (0.47) NPY5RKMT2AMEN1NPY1RDRD2
SCHEMBL13934791 0.87 MEN1 (0.47) NPY5RKMT2AMEN1NPY1RDRD2
SCHEMBL2825482 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1PKMHTR2A
SCHEMBL4534838 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL22042521 0.80 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTCYP2D6
SCHEMBL4531036 0.79 MEN1 (0.64) NPY5RKMT2AMEN1NPY1RDRD2
SCHEMBL19898226 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMHTR2A
SCHEMBL19898225 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMHTR2A
SCHEMBL7750057 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHTR2A
SCHEMBL2108242 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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 (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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A NPY5R 1301/4885KMT2A 4198/4885MEN1 3503/4885

“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.