SCHEMBL17560714

SCHEMBL17560714

Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 14/20 0.72
BRD1 O95696 9/20 0.72
BRD4 O60885 5/20 0.72
BRD9 Q9H8M2 5/20 0.72
BRPF3 Q9ULD4 5/20 0.72
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
BRD7 Q9NPI1 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL17560722 0.85 BRPF1 (0.79) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL17560671 0.84 BRPF1 (0.77) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL17560658 0.84 BRPF1 (0.69) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL19435605 0.84 BRPF1 (1.00) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL17560673 0.81 BRPF1 (1.00) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL17576240 0.80 BRPF1 (1.00) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL30349578 0.79 CYP19A1 (0.56) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL5443364 0.79 CYP19A1 (0.56) BRPF1BRD1BRD4BRD9BRPF3
SCHEMBL13106670 0.79 CA2 (0.50) MAPTHTTCA2CA1KDM4E
SCHEMBL17560668 0.76 BRPF1 (1.00) BRPF1BRD1BRD4BRD9BRPF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
EP-3189037-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL Business PLC (GB) 2017-07-12 EP disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 WO disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 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 (2 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-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BRPF1 2813/4885BRD1 3031/4885BRD4 1326/4885
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 BRPF1 104/4885BRD1 4/4885BRD4 1/4885

“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.