SCHEMBL2157222

SCHEMBL2157222

Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.65
MAPT P10636 4/20 0.62
TDP1 Q9NUW8 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
LMNA P02545 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ESR2 Q92731 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALOX12 P18054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
ADH5 P11766 1/20 0.49
TSHR P16473 1/20 0.46

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
SCHEMBL8292811 0.90 XDH (0.59) XDHMAPTTDP1MEN1KMT2A
SCHEMBL25216798 0.84 XDH (0.59) XDHMAPTTDP1MEN1KMT2A
SCHEMBL30955240 0.80 ALDH1A1 (0.67) XDHMAPTALDH1A1ADH5
SCHEMBL25387562 0.80 XDH (0.55) XDHMAPTTDP1MEN1KMT2A
SCHEMBL1250484 0.79 XDH (1.00) XDHMEN1KMT2ANPSR1KDM4E
SCHEMBL737722 0.78 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.78 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL2157978 0.77 TDP1 (0.70) XDHMAPTTDP1MEN1KMT2A
SCHEMBL2653775 0.77 XDH (0.67) XDHMAPTMEN1KMT2ALMNA
SCHEMBL17834028 0.76 XDH (0.70) XDHMAPTMEN1KMT2ALMNA

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-20150360147-A1 Benzimidazole Compounds And Their Use As Chromatographic Ligands MILLIPORE (U.K.) LIMITED (GB) 2015-12-17 US disclosed
US-9144757-B2 Benzimidazole compounds and their use as chromatographic ligands MILLIPORE (U.K.) LIMITED (GB) 2015-09-29 US disclosed
US-20150087821-A1 Benzimidazole Compounds And Their Use As Chromatographic Ligands MILLIPORE (U.K.) LIMITED (GB) 2015-03-26 US disclosed
US-8933206-B2 Benzimidazole compounds and their use as chromatographic ligands MILLIPORE (U.K.) LIMITED (GB) 2015-01-13 US disclosed
CN-101220077-B Benzimidazole compounds and their use as chromatographic ligands MILLIPORE U K LTD 2013-06-05 CN disclosed
EP-1944311-B1 Benzimidazole compounds and their use as chromatographic ligands for the isolation of immunoglobulins MILLIPORE UK LTD (GB) 2012-06-06 EP disclosed
EP-2341064-A1 Benzimidazole compounds and their use as chromatographic ligands Millipore (U.K.) Ltd. (GB) 2011-07-06 EP disclosed
US-20080262207-A1 For isolation of immunoglobulins; solid phase agarose matrices MILLIPORE (U.K.) LIMITED (GB) 2008-10-23 US disclosed
EP-1944311-A1 Benzimidazole compounds and their use as chromatographic ligands Millipore (UK) Limited (GB) 2008-07-16 EP disclosed
CN-101220077-A Benzimidazole compounds and their use as chromatographic ligands MILLIPORE UK LTD (GB) 2008-07-16 CN 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 (3 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-20150087821-A1 Benzimidazole Compounds And Their Use As Chromatographic Ligands IGSF11, IGLV6-57, MRPS34 XDH 2514/4885MAPT 4225/4885TDP1 4832/4885
US-20080262207-A1 For isolation of immunoglobulins; solid phase agarose matrices IGSF11, LY96, IGLV6-57 XDH 2894/4885MAPT 3950/4885TDP1 4549/4885
US-20150360147-A1 Benzimidazole Compounds And Their Use As Chromatographic Ligands IGSF11, IGLV6-57, MRPS34 XDH 2514/4885MAPT 4225/4885TDP1 4832/4885

“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.