SCHEMBL3010886

SCHEMBL3010886

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
F2RL3 Q96RI0 3/20 0.33
CYP1A1 P04798 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3019204 0.92 ALDH1A1 (0.37) ALDH1A1GAAMAPK1SMN1; SMN2HRH3
SCHEMBL3115792 0.92 GBA1 (0.39) ALDH1A1GAAMAPK1SMN1; SMN2NPC1
SCHEMBL3013502 0.91 SMN1; SMN2 (0.39) ALDH1A1GAASMN1; SMN2CA2MEN1
SCHEMBL3020517 0.91 ALDH1A1 (0.41) TP53ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL3011419 0.91 MAPT (0.40) TP53ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL3016673 0.91 ALDH1A1 (0.36) TP53ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL3015109 0.90 KDM4E (0.40) TP53ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL3020251 0.90 ALDH1A1 (0.37) ALDH1A1GAAMAPK1SMN1; SMN2HRH3
SCHEMBL3019045 0.90 GAA (0.38) ALDH1A1GAAMAPK1SMN1; SMN2MEN1
SCHEMBL3011843 0.89 LMNA (0.37) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A

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 TP53 2880/4885ALDH1A1 3510/4885GAA 110/4885

“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.