SCHEMBL6159541

SCHEMBL6159541

O=C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ VCAM1 P19320 1/20 0.37

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 SCHEMBL3818307 0.99 KIF18A (0.44) KIF18AUSP2OPRM1ALDH1A1MAPK1
SCHEMBL6159851 0.86 EPHX2 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2MCOLN3
SCHEMBL6160518 0.86 MCOLN3 (0.57) ALDH1A1MAPK1LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3821417 0.85 MCOLN3 (0.56) ALDH1A1MAPK1LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3814238 0.85 EPHX2 (0.45) ALDH1A1LMNAPOLBSMN1; SMN2MCOLN3
SCHEMBL6160034 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPK1LMNASMN1; SMN2MCOLN3
SCHEMBL3835927 0.83 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3812575 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPK1LMNASMN1; SMN2MCOLN3
Hydrochloric Acid SCHEMBL3821830 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNAPOLBSMN1; SMN2
SCHEMBL6160863 0.81 VCAM1 (0.37) USP2ALDH1A1MAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 — — EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 — — EP disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 — — US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 — — WO 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL KIF18A 4811/4885USP2 4671/4885OPRM1 981/4885

“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.

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