SCHEMBL15068142

SCHEMBL15068142

O=[N+]([O-])c1cnc(Oc2ccccc2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.48
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
NQO2 P16083 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MLNR O43193 1/20 0.41
MMP1 P03956 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL31395345 0.86 HSPB1 (0.58) EP300KAT2AKAT2BALDH1A1LMNA
SCHEMBL29074767 0.82 MAPT (0.56) ALDH1A1LMNAHTTMAPTRAB9A
SCHEMBL22009630 0.82 HTT (0.50) PIN1EP300KAT2AKAT2BALDH1A1
SCHEMBL29831476 0.80 PIN1 (0.50) PIN1ALDH1A1LMNAMAPTRAB9A
SCHEMBL29716200 0.79 HTT (0.48) PIN1EP300KAT2AKAT2BALDH1A1
SCHEMBL22009634 0.79 HTT (0.48) PIN1EP300KAT2AKAT2BALDH1A1
SCHEMBL10960325 0.79 PIN1 (0.50) PIN1EP300KAT2AKAT2BALDH1A1
SCHEMBL10984702 0.77 MAPT (0.46) PIN1ALDH1A1LMNAHTTMAPT
SCHEMBL30543269 0.76 MAPT (0.40) KAT2BALDH1A1LMNAHTTMAPT
SCHEMBL116509 0.76 MAPT (0.40) KAT2BALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 US disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 CN disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 US disclosed
US-9296741-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-03-29 US disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 EP disclosed
US-20140162971-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-06-12 US disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 WO disclosed
WO-2013097052-A1 BROMODOMAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-07-04 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 (5 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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 PIN1 1566/4885EP300 33/4885KAT2A 270/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 PIN1 1566/4885EP300 33/4885KAT2A 270/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 PIN1 1566/4885EP300 33/4885KAT2A 270/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 PIN1 1566/4885EP300 33/4885KAT2A 270/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 PIN1 1566/4885EP300 33/4885KAT2A 270/4885

“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.