SCHEMBL3013963

SCHEMBL3013963

O=[N+]([O-])c1cccc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(Cl)cc4Cl)cs3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
EPHX2 P34913 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EEF2K O00418 1/20 0.36
FBP1 P09467 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ACHE P22303 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3017211 0.91 MAPT (0.43) KDM1AEPHX2FLT1FLT4KDR
SCHEMBL3013737 0.90 KDM1A (0.42) KDM1ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3010140 0.90 RAB9A (0.41) KDM1AEPHX2SMN1; SMN2MAPTALDH1A1
SCHEMBL3010254 0.89 KDM1A (0.39) KDM1ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3016617 0.88 EPHX2 (0.39) EPHX2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3014584 0.87 MAPT (0.48) KDM1ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3003808 0.87 EPHX2 (0.46) EPHX2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3015086 0.87 LMNA (0.37) KDM1ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3014120 0.86 EPHX2 (0.44) EPHX2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3015087 0.86 EPHX2 (0.38) KDM1AEPHX2FLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA KDM1A 3548/4885EPHX2 4409/4885FLT1 4690/4885

“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.