SCHEMBL4263261

SCHEMBL4263261

CC(C)(C)OC(=O)COc1ccc(Cn2nnc(-c3cccc(Br)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC6 Q9UBN7 4/20 0.46
MMP13 P45452 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TSHR P16473 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
SCHEMBL4266212 0.82 THRB (0.44) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL8849167 0.80 MEN1 (0.47) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL8849051 0.77 THRB (0.47) SMN1; SMN2NPC1RAB9AMMP13ALDH1A1
SCHEMBL6188523 0.75 RAB9A (0.55) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4255014 0.73 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4256186 0.73 RAB9A (0.53) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL7110609 0.72 HSD17B10 (0.52) SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4266434 0.72 HDAC6 (0.49) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4262512 0.72 HDAC6 (0.44) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL4266440 0.72 HDAC6 (0.49) SMN1; SMN2NPC1RAB9AHDAC6MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 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 (2 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 SMN1; SMN2 2194/4885NPC1 1536/4885RAB9A 919/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 SMN1; SMN2 1617/4885NPC1 1391/4885RAB9A 413/4885

“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.