SCHEMBL3020436

SCHEMBL3020436

O=S(=O)(c1c(F)c(Br)cc(F)c1Br)N1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
MAPK1 P28482 5/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AR P10275 3/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 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
SCHEMBL3012075 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3013233 0.90 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3015731 0.90 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3017454 0.89 MAPK1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3649313 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3021979 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3016863 0.88 MAPT (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3011535 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3006456 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL3019023 0.87 AR (0.52) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA SMN1; SMN2 1/4885ALDH1A1 3510/4885L3MBTL1 1847/4885

“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.