SCHEMBL3013502

SCHEMBL3013502

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
GRK2 P25098 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3022985 0.93 KDM4E (0.37) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL3014450 0.93 KDM4E (0.41) SMN1; SMN2RAB9AALDH1A1NPC1KMT2A
SCHEMBL3016776 0.92 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL3012971 0.91 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL3014222 0.91 MAPT (0.43) SMN1; SMN2RAB9AALDH1A1NPC1POLB
SCHEMBL3010886 0.91 TP53 (0.39) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL3006248 0.91 DRD2 (0.36) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL3013312 0.90 GAA (0.39) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL3019059 0.90 DRD2 (0.39) SMN1; SMN2RAB9ANPC1POLBKDM4E
SCHEMBL3018703 0.90 RAB9A (0.37) SMN1; SMN2RAB9AALDH1A1NPC1KMT2A

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 2943/4885ALDH1A1 3510/4885

“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.