SCHEMBL6455459

SCHEMBL6455459

CN(C)C(=O)c1cc(-c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
ALAD P13716 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP12 P39900 4/20 0.45
RAB9A P51151 1/20 0.43
DGAT1 O75907 1/20 0.43
HDAC4 P56524 1/20 0.42
MMP13 P45452 1/20 0.41
USP30 Q70CQ3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL27316069 0.84 HSD17B1 (0.53) HDAC6SMN1; SMN2NPC1HPGDHSD17B1
SCHEMBL24731407 0.81 HSD17B1 (0.50) HDAC6SMN1; SMN2NPC1HPGDHSD17B1
SCHEMBL26832891 0.81 HSD17B1 (0.50) HDAC6SMN1; SMN2NPC1HPGDHSD17B1
SCHEMBL1286671 0.80 HDAC6 (0.62) HDAC6SMN1; SMN2NPC1HPGDHSD17B1
SCHEMBL505511 0.80 ALAD (0.70) HDAC6NPC1ALADMEN1KMT2A
SCHEMBL27623993 0.80 HDAC6 (0.66) HDAC6NPC1HSD17B1HSD17B2ALAD
SCHEMBL10384771 0.78 HDAC6 (0.63) HDAC6SMN1; SMN2NPC1HPGDHSD17B1
SCHEMBL6848247 0.77 HDAC6 (0.62) HDAC6NPC1HSD17B1HSD17B2ALAD
SCHEMBL3050661 0.77 HDAC6 (0.62) HDAC6NPC1HSD17B1HSD17B2ALAD
SCHEMBL5605556 0.77 HDAC6 (0.62) HDAC6ALADMEN1KMT2AMMP12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP claimed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO claimed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP claimed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 HDAC6 611/4885SMN1; SMN2 3494/4885NPC1 1178/4885

“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.