SCHEMBL3016829

SCHEMBL3016829

Cc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(CBr)cc4)CC3)n2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 9/20 0.35
GBA1 P04062 1/20 0.35
NAMPT P43490 7/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL3013632 0.93 SMN1; SMN2 (0.36) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3014285 0.92 GBA1 (0.41) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3011437 0.91 HTR2A (0.39) DNM1LGBA1ALDH1A1MAPTHTT
SCHEMBL3002167 0.91 MAPT (0.37) DNM1LGBA1NAMPTALDH1A1MAPT
SCHEMBL3020329 0.90 DNM1L (0.37) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3015039 0.89 GBA1 (0.42) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3016045 0.89 DNM1L (0.34) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3007186 0.89 GBA1 (0.37) DNM1LGBA1NAMPTCYP2C9ALDH1A1
SCHEMBL3011898 0.88 MEN1 (0.39) DNM1LALDH1A1POLBMAPTKMT2A
SCHEMBL3006046 0.88 GBA1 (0.37) DNM1LGBA1NAMPTCYP2C9ALDH1A1

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 DNM1L 180/4885GBA1 4/4885NAMPT 2273/4885

“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.