SCHEMBL2999691

SCHEMBL2999691

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSS P25774 11/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GPR6 P46095 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 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
SCHEMBL3001246 0.93 CTSS (0.35) RAB9ASMN1; SMN2CTSSMAPTALDH1A1
SCHEMBL3014694 0.92 CNR2 (0.41) RAB9ASMN1; SMN2CTSSMAPTNPC1
SCHEMBL3007912 0.91 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2CTSSMAPTNPC1
SCHEMBL3004553 0.91 MAPT (0.40) SMN1; SMN2CTSSMAPTALDH1A1
SCHEMBL3008468 0.91 CTSS (0.35) RAB9ASMN1; SMN2CTSSNPC1
SCHEMBL3017401 0.91 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2CTSSMAPTNPC1
SCHEMBL3013818 0.90 MAPT (0.36) RAB9ASMN1; SMN2CTSSMAPTNPC1
SCHEMBL3019701 0.90 DRD2 (0.37) RAB9ASMN1; SMN2CTSSMAPTNPC1
SCHEMBL2998519 0.90 CTSS (0.45) RAB9ASMN1; SMN2CTSSMAPTPOLB
SCHEMBL3014666 0.89 ALDH1A1 (0.41) RAB9ASMN1; SMN2MAPTALDH1A1

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 1/4885CTSS 106/4885

“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.