SCHEMBL4531038

SCHEMBL4531038

CN(C(=O)O)[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
TBXA2R P21731 6/20 0.47
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2821240 0.84 KMT2A (0.88) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL30737179 0.84 KMT2A (0.88) MEN1KMT2AALDH1A1MAPTTHRB
Bicarbonate SCHEMBL6589541 0.83 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4534838 0.82 KMT2A (0.53) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL7468696 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL15334448 0.79 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL12481279 0.79 KMT2A (0.94) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL34474241 0.79 KMT2A (0.94) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL2311011 0.78 KMT2A (0.61) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4733033 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTTHRB

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 MEN1 3503/4885KMT2A 4198/4885ALDH1A1 2250/4885

“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.