SCHEMBL21726734

SCHEMBL21726734

CCCNS(=O)(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ALDH1A1 P00352 5/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EGFR P00533 1/20 0.43
TNNI3K Q59H18 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 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
SCHEMBL15199080 0.91 ALDH1A1 (0.56) KMT2ACA12CA9ALDH1A1CYP2C19
SCHEMBL10176295 0.87 KMT2A (0.47) KMT2ACA9CA1CA2ALDH1A1
SCHEMBL12062300 0.86 KMT2A (0.51) KMT2ACA1CA2ALDH1A1CYP2C19
SCHEMBL10176297 0.86 CYP2C19 (0.58) KMT2ACA1CA2ALDH1A1CYP2C19
SCHEMBL17049845 0.85 KMT2A (0.65) KMT2ACA12CA9CA1CA2
SCHEMBL14349611 0.84 TSHR (0.52) KMT2ACA12CA9CA2ALDH1A1
SCHEMBL13155053 0.84 ALDH1A1 (0.56) KMT2AALDH1A1MEN1LMNAPOLB
SCHEMBL14299193 0.80 CA1 (0.64) KMT2ACA12CA9CA1CA2
SCHEMBL18649028 0.79 KEAP1 (0.63) CA12CA9CA1CA2ALDH1A1
SCHEMBL15199082 0.79 TSHR (0.50) KMT2ACA1CA2ALDH1A1CYP2C19

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-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 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-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 KMT2A 77/4885CA12 3491/4885CA9 3995/4885

“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.