SCHEMBL20533934

SCHEMBL20533934

CS(=O)(=NC(=O)O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
CASP3 P42574 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CLTC Q00610 2/20 0.44
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL20533666 0.85 KMT2A (0.50) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL20533723 0.79 CASP3 (0.53) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL20533886 0.76 HTR6 (0.46) ALDH1A1GAAHSD17B10KDM4E
SCHEMBL13784494 0.76 ALDH1A1 (0.39) KMT2AMEN1CA12CA1CA2
SCHEMBL2258501 0.73 KMT2A (0.70) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL15485711 0.72 CA1 (0.53) KMT2ACASP3NPSR1HDAC1HDAC7
SCHEMBL31752531 0.72 KMT2A (0.68) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL31751936 0.72 KMT2A (1.00) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL1200846 0.72 KMT2A (1.00) KMT2ACASP3NPSR1MEN1HPGD
SCHEMBL27840845 0.70 CASP3 (0.79) KMT2ACASP3NPSR1MEN1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB KMT2A 2326/4885CASP3 792/4885NPSR1 4693/4885

“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.