SCHEMBL4266434

SCHEMBL4266434

COP(=O)(Cc1ccc(Cn2nnc(-c3cccc(Br)c3)n2)cc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.49
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
MMP13 P45452 3/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 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

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
SCHEMBL27628938 0.85 HDAC6 (0.50) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL4266440 0.84 HDAC6 (0.49) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL6188523 0.81 RAB9A (0.55) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL4256529 0.78 KMT2A (0.43) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL4256186 0.76 RAB9A (0.53) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL28753356 0.75 RAB9A (0.52) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL4263261 0.72 SMN1; SMN2 (0.47) HDAC6RAB9ASMN1; SMN2NPC1MMP13
SCHEMBL13947009 0.72 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL4269194 0.70 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MMP13LMNA
SCHEMBL27628842 0.70 AHR (0.43) HDAC6RAB9ASMN1; SMN2NPC1LMNA

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 5 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
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 HDAC6 53/4885RAB9A 919/4885SMN1; SMN2 2194/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 HDAC6 200/4885RAB9A 413/4885SMN1; SMN2 1617/4885

“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.