SCHEMBL221077

SCHEMBL221077

Nc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 3/20 0.57
CTSB P07858 1/20 0.50
ERN1 O75460 1/20 0.50
MAPT P10636 3/20 0.46
S100A4 P26447 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL1281710 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL29706644 0.89 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL2783704 0.89 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBERN1MAPT
Nitrogen SCHEMBL28731041 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL240605 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL222175 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL153660 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL11756234 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBERN1MAPT
SCHEMBL4264263 0.85 ERN1 (0.51) ALDH1A1CYP3A4CTSBERN1MAPT
Bromide SCHEMBL18614480 0.83 ERN1 (0.50) ALDH1A1CYP3A4CTSBERN1MAPT

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865912-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-10-21 US claimed
US-20140142321-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-05-22 US claimed
CN-113544129-B Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-07-23 CN disclosed
CN-113544129-A Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2021-10-22 CN disclosed
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
WO-2020200284-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUND AND USE OF SAME IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-10-08 WO disclosed
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 US disclosed
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 WO disclosed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 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 (6 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 ALDH1A1 3316/4885CYP3A4 4794/4885CTSB 2488/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ALDH1A1 3469/4885CYP3A4 849/4885CTSB 3753/4885
US-20140142321-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885CYP3A4 1332/4885CTSB 1715/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 ALDH1A1 3316/4885CYP3A4 4794/4885CTSB 2488/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI ALDH1A1 576/4885CYP3A4 21/4885CTSB 852/4885
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA ALDH1A1 1375/4885CYP3A4 1332/4885CTSB 1715/4885

“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.