SCHEMBL4256532

SCHEMBL4256532

CCOP(=O)(O)Cc1ccc(Cn2nnc(-c3cccc(C#CCc4ccc(F)cc4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP13 P45452 5/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL4256529 0.87 KMT2A (0.43) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4266341 0.86 KMT2A (0.45) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4263428 0.82 SMN1; SMN2 (0.56) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL6185806 0.81 THRB (0.45) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4260448 0.81 SMN1; SMN2 (0.50) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4257483 0.81 SMN1; SMN2 (0.47) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4262244 0.80 KMT2A (0.45) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4257508 0.80 KMT2A (0.45) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4256714 0.80 ALDH1A1 (0.52) THRBKMT2AHDAC6SMN1; SMN2NPC1
SCHEMBL4266440 0.80 HDAC6 (0.49) HDAC6SMN1; SMN2NPC1RAB9AMMP13

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 THRB 3614/4885KMT2A 467/4885HDAC6 53/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 THRB 2544/4885KMT2A 3147/4885HDAC6 200/4885

“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.