SCHEMBL3017979

SCHEMBL3017979

Cc1cc(C)cc(Cc2csc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.45
GBA1 P04062 2/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR183 P32249 1/20 0.38

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
SCHEMBL3007459 0.93 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3013191 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3011781 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3006966 0.89 GBA1 (0.50) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3017423 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3014634 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3011278 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3015127 0.88 PKM (0.50) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3011559 0.88 HTT (0.47) ALDH1A1SMN1; SMN2KDM4EPKMGBA1
SCHEMBL3012585 0.87 PKM (0.53) ALDH1A1SMN1; SMN2KDM4EPKMGBA1

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 3 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

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 ALDH1A1 3510/4885SMN1; SMN2 1/4885KDM4E 4398/4885

“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.