SCHEMBL5487090

SCHEMBL5487090

CC(=O)NC(C)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
CTRC Q99895 1/20 0.36
MMP8 P22894 5/20 0.36
MMP1 P03956 4/20 0.36
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
PARP1 P09874 1/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MME P08473 1/20 0.34
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
ECE1 P42892 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTRB1 P17538 2/20 0.34
ABL1 P00519 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
SCHEMBL2965615 1.00 MAPK14 (0.40) MAPK14CTRCMMP8MMP1MMP2
SCHEMBL2961080 0.89 BACE1 (0.39) MMP8MMP1MMP2MMP9MME
SCHEMBL13041332 0.89 BACE1 (0.39) MMP8MMP1MMP2MMP9MME
SCHEMBL8318041 0.84 PSEN1 (0.43)
SCHEMBL8312723 0.83 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL13041322 0.83 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL2956752 0.83 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL2956749 0.83 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL2965100 0.83 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL12966258 0.76 PSEN1 (0.37) MMP8MMP1MMP2MMP9RAB9A

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
EP-2511267-A1 3-((N-ACYLATED AMINOACYL)AMINO)PYRAZOLES AS INHIBITORS OF BETA-AMYLOID PEPTIDE PRODUCTION USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals Inc. (US) 2012-10-17 EP claimed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 US claimed

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-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A MAPK14 1537/4885CTRC 1031/4885MMP8 3843/4885

“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.