SCHEMBL3016594

SCHEMBL3016594

CCOc1ccc(-c2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
CDC25A P30304 1/20 0.42
MAPK1 P28482 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3013899 0.91 MAPT (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3006890 0.91 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3010502 0.90 CTSS (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3018188 0.89 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3020092 0.88 MAPT (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3019613 0.88 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3020022 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3009518 0.87 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3022394 0.87 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3018502 0.87 MAPT (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 SMN1; SMN2 1/4885RAB9A 2943/4885NPC1 15/4885

“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.