SCHEMBL3000434

SCHEMBL3000434

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
F2RL3 Q96RI0 9/20 0.35
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35
AVPR1B P47901 2/20 0.35
NPC1 O15118 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
OGA O60502 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3007372 0.92 MAPT (0.34) RAB9ASMN1; SMN2MAPTF2RL3NPC1
SCHEMBL3008408 0.92 F2RL3 (0.36) RAB9ASMN1; SMN2F2RL3HRH3ALDH1A1
SCHEMBL3007526 0.91 MAPT (0.39) SMN1; SMN2MAPTF2RL3ALDH1A1MEN1
SCHEMBL3006880 0.90 OGA (0.36) SMN1; SMN2MAPTF2RL3HRH3ALDH1A1
SCHEMBL3016738 0.90 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2MAPTNPC1HRH3
SCHEMBL3013521 0.90 RAB9A (0.36) RAB9ASMN1; SMN2MAPTF2RL3NPC1
SCHEMBL3013690 0.89 FABP4 (0.37) RAB9ASMN1; SMN2MAPTNPC1HRH3
SCHEMBL3017918 0.89 RAB9A (0.36) RAB9ASMN1; SMN2MAPTF2RL3POLB
SCHEMBL3007049 0.89 F2RL3 (0.36) RAB9ASMN1; SMN2MAPTF2RL3ALDH1A1
SCHEMBL3012900 0.89 DNM1L (0.37) HRH3ALDH1A1OGAMEN1KMT2A

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 RAB9A 2943/4885SMN1; SMN2 1/4885MAPT 18/4885

“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.