SCHEMBL448613

SCHEMBL448613

COC(=O)C(C#N)C(C)(C#N)Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
LMNA P02545 1/20 0.35
FPR2 P25090 1/20 0.34

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
SCHEMBL448591 0.88 CTSS (0.37) CTSKCTSSALDH1A1KMT2AL3MBTL1
SCHEMBL1750098 0.68 CTSK (0.43) CTSKCTSSKMT2ALMNAFPR2
SCHEMBL4768519 0.67 KMT2A (0.45) ALDH1A1KMT2AKDM4EGLAL3MBTL1
SCHEMBL8692250 0.67 L3MBTL1 (0.44) TDP1HDAC1HDAC6ALDH1A1KMT2A
SCHEMBL4473166 0.67 MEN1 (0.38) CTSKCTSSALDH1A1KMT2AGAA
SCHEMBL30771289 0.66 CYP1A2 (0.44) CTSKALDH1A1KMT2AKDM4E
SCHEMBL448109 0.66 TBXA2R (0.40) CTSKCTSSALDH1A1KMT2ALMNA
SCHEMBL10782667 0.66 MAPT (0.46) TDP1ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL6946548 0.66 PTPRB (0.58) TDP1HDAC1HDAC6ALDH1A1KMT2A
SCHEMBL7699138 0.65 BLM (0.47) TDP1ALDH1A1KMT2AKDM4EGLA

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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 (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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 CTSK 361/4885CTSS 562/4885TDP1 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.