SCHEMBL3014529

SCHEMBL3014529

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(Br)c4)CC3)n2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
DNM1L O00429 4/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
CDC25A P30304 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3017287 0.94 DNM1L (0.34) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL3015608 0.91 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL3013064 0.90 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL3004586 0.89 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL3013735 0.89 GPR6 (0.39) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL3008108 0.89 GBA1 (0.35) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3007230 0.87 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL3021393 0.87 GBA1 (0.42) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2998949 0.87 CTSS (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3009991 0.87 LMNA (0.35) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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

“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.