SCHEMBL3011541

SCHEMBL3011541

O=[N+]([O-])c1cccc(S(=O)(=O)C2CCN(c3nc(Cc4cc(F)cc(Cl)c4)cs3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
DNM1L O00429 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FSCN1 Q16658 1/20 0.33
JAK2 O60674 1/20 0.32

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 0.95 KDM1A (0.39) KDM1ACYP17A1CYP21A2CYP11B1SMN1; SMN2
SCHEMBL3007212 0.94 LMNA (0.36) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL3003823 0.92 MAPT (0.40) SMN1; SMN2MAPTMEN1KMT2ADNM1L
SCHEMBL3013737 0.89 KDM1A (0.42) KDM1ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL2999678 0.89 GPR6 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL3015977 0.89 RAB9A (0.38) SMN1; SMN2MAPTKMT2A
SCHEMBL3016938 0.89 KDM1A (0.36) KDM1ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL3009768 0.88 VCAM1 (0.36) CYP17A1CYP21A2CYP11B1SMN1; SMN2MAPT
SCHEMBL3019115 0.88 SMN1; SMN2 (0.37) KDM1ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL3019919 0.87 LMNA (0.36) KDM1ASMN1; SMN2MAPTLMNAMEN1

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 3548/4885CYP17A1 3887/4885CYP21A2 4129/4885

“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.