SCHEMBL3005986

SCHEMBL3005986

Cc1cc(C)cc(-c2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.51
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC25A P30304 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3009110 0.93 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3001245 0.91 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3012975 0.91 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3015361 0.90 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3016724 0.90 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3018444 0.89 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3010949 0.89 RAB9A (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3010940 0.89 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3008546 0.88 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3014731 0.88 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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.