SCHEMBL448591

SCHEMBL448591

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MMP8 P22894 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL448613 0.88 CTSK (0.40) CTSSCTSKKMT2ALMNAL3MBTL1
SCHEMBL449478 0.75 LMNA (0.43) MMEACEKMT2AMAPTMEN1
SCHEMBL446077 0.74 LMNA (0.42) MMEACEKMT2AMAPTMEN1
SCHEMBL6805192 0.73 KMT2A (0.39) CTSKKMT2AMAPTMEN1LMNA
SCHEMBL3627760 0.73 MMP8 (0.48) KMT2AMEN1LMNAMMP8SMN1; SMN2
SCHEMBL6800776 0.72 MMP1 (0.43) CTSSCTSKKMT2AMAPTMEN1
SCHEMBL7362869 0.71 MMP8 (0.59) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL11136813 0.71 SMN1; SMN2 (0.40) KMT2AMEN1LMNANPSR1SMN1; SMN2
SCHEMBL28796282 0.70 MMP8 (0.51) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL13700788 0.69 KMT2A (0.51) CTSKKMT2AMAPTMEN1MAPK1

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 CTSS 562/4885CTSK 361/4885MME 50/4885

“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.