SCHEMBL3012595

SCHEMBL3012595

CCCc1ccc(-c2csc(N3CCC(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.49
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
MAPT P10636 6/20 0.49
KCNQ1 P51787 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NTSR1 P30989 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3022007 0.93 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3014772 0.89 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3012932 0.88 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTKCNQ1
SCHEMBL3013700 0.88 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3014035 0.88 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3007810 0.88 AVPR1B (0.41) SMN1; SMN2RAB9ANPC1MAPTKCNQ1
SCHEMBL3017446 0.88 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3015049 0.87 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL15671707 0.87 RAB9A (0.52) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3017115 0.86 RAB9A (0.52) SMN1; SMN2RAB9ANPC1MAPTKCNQ1

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 SMN1; SMN2 1/4885RAB9A 2943/4885NPC1 15/4885

“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.