SCHEMBL18152845

SCHEMBL18152845

O=c1[nH]c2cc(Br)cc([N+](=O)[O-])c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.46
CYP1A2 P05177 3/20 0.41
GRIA1 P42261 3/20 0.41
GRIA2 P42262 3/20 0.41
GRIA3 P42263 3/20 0.41
GRIA4 P48058 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
MAPT P10636 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
BLM P54132 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GRIK3 Q13003 2/20 0.41
GRIK4 Q16099 2/20 0.41
GRIK5 Q16478 2/20 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
SCHEMBL1248784 0.81 TSHR (0.44) CYP1A2GRIA1GRIA2GRIA3GRIA4
SCHEMBL5731977 0.77 GPR35 (0.38) GPR35CYP1A2GRIA1GRIA2GRIA3
SCHEMBL8596930 0.77 L3MBTL1 (0.48) CYP1A2GRIA1GRIA2GRIA3GRIA4
SCHEMBL2149064 0.75 GPR35 (0.38) GPR35CYP1A2BLMLMNAHPGD
SCHEMBL9954720 0.74 GPR35 (0.40) GPR35CYP1A2GRIA1GRIA2GRIA3
SCHEMBL31107905 0.74 ALDH1A1 (0.44) CYP1A2GRIA1GRIA2GRIA3GRIA4
SCHEMBL16362079 0.74 NOS1 (0.42) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30445055 0.74 NOS1 (0.42) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2149156 0.73 OGT (0.43) GPR35CYP1A2GRIA1GRIA2GRIA3
SCHEMBL30444318 0.73 KMO (0.35) CYP1A2BLMLMNATSHRKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 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 (4 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-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 GPR35 4057/4885CYP1A2 4780/4885GRIA1 1881/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 GPR35 4047/4885CYP1A2 4776/4885GRIA1 1831/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 GPR35 4057/4885CYP1A2 4780/4885GRIA1 1881/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 GPR35 4057/4885CYP1A2 4780/4885GRIA1 1881/4885

“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.