SCHEMBL3011506

SCHEMBL3011506

Cc1cccc(C)c1Cc1csc(N2CCC(S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
OGA O60502 2/20 0.32
DNM1L O00429 9/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP4 P15090 2/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL3005123 0.92 ALDH1A1 (0.34) ALDH1A1HRH3OGADNM1LMEN1
SCHEMBL3002541 0.91 OGA (0.33) ALDH1A1HRH3OGADNM1LMEN1
SCHEMBL3018020 0.90 ALDH1A1 (0.35) ALDH1A1HRH3OGADNM1LMEN1
SCHEMBL3019284 0.89 DNM1L (0.35) ALDH1A1HRH3DNM1L
SCHEMBL3012900 0.88 DNM1L (0.37) ALDH1A1HRH3OGADNM1LMEN1
SCHEMBL3007229 0.88 ALDH1A1 (0.34) ALDH1A1HRH3OGADNM1LFABP4
SCHEMBL3016738 0.87 SMN1; SMN2 (0.36) ALDH1A1HRH3OGADNM1LKMT2A
SCHEMBL3008973 0.87 FABP4 (0.38) ALDH1A1HRH3OGADNM1LLMNA
SCHEMBL3004088 0.86 ALDH1A1 (0.35) ALDH1A1HRH3OGADNM1LFABP4
SCHEMBL3021020 0.86 AR (0.34) ALDH1A1HRH3OGADNM1LKMT2A

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 ALDH1A1 3510/4885HRH3 2846/4885OGA 2888/4885

“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.