SCHEMBL3013737

SCHEMBL3013737

O=[N+]([O-])c1cccc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(Cl)cc4)cs3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CXCR3 P49682 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.35
DNM1L O00429 1/20 0.35
HTT P42858 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
SCHEMBL3010254 0.94 KDM1A (0.39) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2997895 0.92 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAALDH1A1ACHE
SCHEMBL3015086 0.92 LMNA (0.37) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3017166 0.91 ACHE (0.40) MAPTSMN1; SMN2LMNAALDH1A1ACHE
SCHEMBL3009102 0.91 KMT2A (0.40) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3016938 0.91 KDM1A (0.36) KDM1AMAPTSMN1; SMN2CXCR3LMNA
SCHEMBL3020215 0.90 MAPT (0.48) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3019115 0.90 SMN1; SMN2 (0.37) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3013963 0.90 KDM1A (0.39) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3016745 0.90 ACHE (0.39) MAPTSMN1; SMN2LMNAALDH1A1ACHE

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 3548/4885MAPT 18/4885SMN1; SMN2 1/4885

“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.