SCHEMBL7038274

SCHEMBL7038274

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCc3cccc(C(F)(F)F)c3)sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.45
HDAC11 Q96DB2 1/20 0.45
MCL1 Q07820 1/20 0.44
POLB P06746 1/20 0.43
CMA1 P23946 1/20 0.43
TRPA1 O75762 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL6260370 0.91 TRPA1 (0.51) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL6258474 0.89 POLB (0.52) TP53MAPTPOLBTRPA1RXFP1
SCHEMBL7037451 0.85 TRPA1 (0.54) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL7032109 0.85 MAPT (0.54) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL6255882 0.85 TRPA1 (0.54) HDAC1HDAC8HDAC6MAPTHDAC11
SCHEMBL7036764 0.84 TP53 (0.55) TP53MAPTPOLBTRPA1RXFP1
SCHEMBL7023804 0.84 TRPA1 (0.54) TP53MAPTPOLBTRPA1KDM4E
SCHEMBL7032105 0.83 MAPT (0.48) TP53MAPTPOLBTRPA1RXFP1
SCHEMBL7019449 0.82 RXFP1 (0.64) TP53MAPTPOLBRXFP1SMN1; SMN2
SCHEMBL7032494 0.82 CLK1 (0.53) HDAC1HDAC8HDAC6TP53MAPT

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 HDAC1 91/4885HDAC8 188/4885HDAC6 320/4885

“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.