SCHEMBL4534838

SCHEMBL4534838

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2825482 0.90 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1PKM
SCHEMBL19898225 0.84 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1NPC1
SCHEMBL19898226 0.84 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1NPC1
SCHEMBL7750057 0.83 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL4531038 0.82 MEN1 (0.64) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL4534837 0.82 NPY5R (0.49) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL2108242 0.81 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1PKM
SCHEMBL22042521 0.81 MEN1 (0.46) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL4123217 0.80 KMT2A (0.47) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL4112204 0.80 KMT2A (0.47) KMT2AMEN1ACHEALDH1A1MAPT

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 KMT2A 4198/4885MEN1 3503/4885ACHE 3927/4885

“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.