SCHEMBL3021859

SCHEMBL3021859

CCCc1ccc(-c2csc(N3CCC(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
NPC1 O15118 8/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
KCNQ1 P51787 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC25A P30304 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3015473 0.93 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3017115 0.91 RAB9A (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3019187 0.90 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3021012 0.89 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3019682 0.89 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3011490 0.88 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3009518 0.88 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3003922 0.88 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3017712 0.88 MAPT (0.49) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3008913 0.88 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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