SCHEMBL22089990

SCHEMBL22089990

CC(C)Oc1cc(Br)cc(C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
PARP1 P09874 2/20 0.42
KMT2A Q03164 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
MGLL Q99685 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL30986197 1.00 PARP10 (0.56) PARP10PARP1KMT2AIRAK4GLA
SCHEMBL29784105 0.84 KMT2A (0.55) PARP10KMT2ANPC1LMNANFKB1
SCHEMBL2657385 0.84 KMT2A (0.55) PARP10KMT2ANPC1LMNANFKB1
SCHEMBL1869827 0.81 NOTUM (0.51) PARP10KMT2ANPC1LMNANFKB1
SCHEMBL13703974 0.81 PARP10 (0.58) PARP10PARP1KMT2AIRAK4GLA
SCHEMBL14017955 0.81 PARP10 (0.58) PARP10PARP1KMT2AIRAK4GLA
SCHEMBL14018054 0.81 PARP10 (0.58) PARP10PARP1KMT2AIRAK4GLA
SCHEMBL12127897 0.81 PARP10 (0.58) PARP10PARP1KMT2AIRAK4GLA
SCHEMBL25432683 0.80 PARP1 (0.55) PARP10PARP1KMT2ANPC1LMNA
SCHEMBL16958915 0.80 LMNA (0.37) PARP10KMT2ANPC1LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed
US-20210363152-A1 AMINOAZINE AMIDES HOFFMANN LA ROCHE (US) 2021-11-25 US disclosed
CN-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed
EP-3873473-A1 AMINOAZINE AMIDES F. Hoffmann-La Roche AG (CH) 2021-09-08 EP disclosed
WO-2020123426-A1 AMINOAZINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020119896-A1 HETEROCYCLIC INHIBITORS OF ATX F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO 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-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 PARP10 4061/4885PARP1 4741/4885KMT2A 1098/4885

“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.