SCHEMBL3758839

SCHEMBL3758839

O=[N+]([O-])c1ccccc1-c1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
S100A4 P26447 2/20 0.50
PTPRC P08575 1/20 0.50
GPR35 Q9HC97 1/20 0.47
PTPN1 P18031 1/20 0.46
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
ABCB1 P08183 1/20 0.43
RAB9A P51151 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
SCHEMBL26502971 0.94 S100A4 (0.55) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL15926782 0.85 TDP1 (0.70) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL30535903 0.85 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL1287837 0.85 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL26107330 0.85 ALDH1A1 (0.69) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL10435062 0.85 TSHR (0.52) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL3126302 0.83 GPR35 (0.65) ALDH1A1TDP1S100A4GPR35HSD17B10
SCHEMBL29337140 0.83 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL30987815 0.83 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCGPR35
Ammonia Solution, Strong SCHEMBL9060371 0.83 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-12-29 US disclosed
WO-2015108325-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-07-23 WO disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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 (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-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 ALDH1A1 480/4885TDP1 949/4885S100A4 1135/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885TDP1 494/4885S100A4 4181/4885

“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.