SCHEMBL6879747

SCHEMBL6879747

CNC(=O)c1cc(-c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
MMP12 P39900 8/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MMP13 P45452 3/20 0.50
PLK1 P53350 1/20 0.49
USP30 Q70CQ3 1/20 0.48
ALAD P13716 2/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
DGAT1 O75907 1/20 0.46

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
SCHEMBL28875556 0.88 KDM4E (0.51) HDAC6MMP12NPC1RAB9AKDM4E
SCHEMBL12663210 0.86 HDAC6 (0.60) HDAC6MMP12NPC1RAB9AHSD17B10
SCHEMBL21563725 0.83 ALAD (0.66) HDAC6MMP12RAB9AKDM4EALDH1A1
SCHEMBL1286671 0.80 HDAC6 (0.62) HDAC6MMP12NPC1RAB9AKDM4E
SCHEMBL505511 0.80 ALAD (0.70) HDAC6MMP12NPC1RAB9AMMP13
SCHEMBL27623993 0.80 HDAC6 (0.66) HDAC6MMP12NPC1RAB9AMMP13
SCHEMBL2326735 0.79 HDAC6 (0.57) HDAC6MMP12HPGDALDH1A1MAPT
SCHEMBL4149291 0.79 ALAD (0.59) HDAC6MMP12NPC1RAB9AHPGD
SCHEMBL4153715 0.79 ABL1 (0.51) HDAC6NPC1RAB9AKDM4EHPGD
SCHEMBL25550292 0.78 MAPK10 (0.51) MMP12NPC1RAB9AHPGDMAPT

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-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
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

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 611/4885MMP12 7/4885NPC1 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.