SCHEMBL5095475

SCHEMBL5095475

O=[N+]([O-])c1ccc(-c2ncsn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
APP P05067 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CES1 P23141 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL20501805 0.80 CYP1A2 (0.52) MAPTLMNANPC1RAB9AGAA
SCHEMBL4634221 0.74 XDH (0.63) XDHAPPMAPTLMNANPC1
SCHEMBL29769219 0.74 XDH (0.58) XDHAPPMAPTLMNANPC1
SCHEMBL8590673 0.73 XDH (0.53) XDHAPPMAPTLMNANPC1
SCHEMBL27636049 0.73 MAPT (0.61) XDHAPPMAPTLMNANPC1
SCHEMBL1409064 0.72 MEN1 (0.56) XDHAPPMAPTLMNANPC1
SCHEMBL28240321 0.72 MAPT (0.70) XDHAPPMAPTLMNANPC1
SCHEMBL9315402 0.71 PTGS2 (0.36) MAPTLMNANPC1RAB9AGAA
SCHEMBL3139411 0.71 NPC1 (0.42) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL5097638 0.71 MEN1 (0.48) APPMAPTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182305-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE Iowa State University Research Foundation, Inc. (US) 2023-05-24 EP disclosed
CN-100445271-C Amide derivative YAMANOUCHI PHARMA CO LTD (JP) 2008-12-24 CN disclosed
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060229295-A1 Amide derivatives ASTELLAS PHARMA INC.AND RATIONAL DRUG DESIGN (JP) 2006-10-12 US disclosed
CN-1832930-A Amide derivative YAMANOUCHI PHARMA CO LTD (JP) 2006-09-13 CN disclosed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 EP 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-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 XDH 180/4885APP 4566/4885MAPT 2138/4885

“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.