SCHEMBL3019734

SCHEMBL3019734

CCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNJ1 P48048 2/20 0.35
KCNH2 Q12809 2/20 0.35
ACHE P22303 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DNM1L O00429 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3009842 0.93 MEN1 (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3009606 0.93 RAB9A (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3020215 0.91 MAPT (0.48) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3023212 0.90 KMT2A (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3017166 0.90 ACHE (0.40) MEN1KMT2AMAPTSMN1; SMN2ACHE
SCHEMBL3009738 0.90 OPRM1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3017435 0.90 POLB (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3017967 0.88 GBA1 (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3011898 0.88 MEN1 (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3013538 0.88 KMT2A (0.40) MEN1KMT2ANPC1POLBRAB9A

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 MEN1 454/4885KMT2A 2680/4885NPC1 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.