SCHEMBL333388

SCHEMBL333388

CN(C)c1ccc(N=Nc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.58
NPC1 O15118 6/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 5/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
MAPK1 P28482 6/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 4/20 0.50
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48

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
Hydrochloric Acid SCHEMBL28017436 0.98 MYC (0.57) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL2319836 0.91 MYC (0.49) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL2319839 0.91 MYC (0.49) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL28348637 0.85 NPC1 (0.56) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL20529119 0.84 CA12 (0.44) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL2938131 0.82 TDP1 (0.51) MYCNPC1MEN1KMT2ARAB9A
SCHEMBL408152 0.82 POLB (0.58) NPC1MEN1KMT2AALDH1A1TDP1
SCHEMBL31158053 0.82 POLB (0.58) NPC1MEN1KMT2AALDH1A1TDP1
SCHEMBL408151 0.82 POLB (0.58) NPC1MEN1KMT2AALDH1A1TDP1
SCHEMBL1706418 0.81 MYC (0.46) MYCNPC1MEN1KMT2ARAB9A

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-8097412-B2 DNA-based test for detection of annual and intermediate ryegrass BIODIAGNOSTICS, INC. (US) 2012-01-17 US disclosed
US-20100047786-A1 DNA-based test for detection of annual and intermediate ryegrass BIODIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-6114518-A Synthesis and use of labelled phosphoramidite compositions BECTON, DICKINSON AND COMPANY (US) 2000-09-05 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-20100047786-A1 DNA-based test for detection of annual and intermediate ryegrass RXFP2, ACVR2A, LDLR MYC 2237/4885NPC1 2793/4885MEN1 3763/4885

“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.