SCHEMBL3014347

SCHEMBL3014347

O=S(=O)(c1ccc(OC(F)(F)F)cc1)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
SCN9A Q15858 2/20 0.34
LIPE Q05469 3/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AVPR1B P47901 1/20 0.34
CHRM4 P08173 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
SCHEMBL3019380 0.91 LIPE (0.38) SCN9ALIPETRPM8NPC1RAB9A
SCHEMBL3018194 0.90 HTR2A (0.39) SCN9ALIPEMMP2MMP9TRPM8
SCHEMBL3017993 0.90 MAPT (0.41) SCN9ARAB9AEPHX2MEN1KMT2A
SCHEMBL3013636 0.88 RAB9A (0.38) NPC1RAB9AMEN1KMT2AHTR2A
SCHEMBL3017160 0.88 HTR2A (0.39) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL3006121 0.87 LIPE (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3013692 0.87 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3015985 0.87 LIPE (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3019431 0.87 LIPE (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3011689 0.86 LIPE (0.37) SCN9ALIPEMMP2MMP9TRPM8

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 HDAC3 728/4885HDAC4 537/4885HDAC1 408/4885

“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.