SCHEMBL782111

SCHEMBL782111

NC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-].[N]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
TSHR P16473 3/20 0.50
CTSD P07339 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLAU P00749 1/20 0.42
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL366798 0.98 GPR35 (0.56) GPR35TSHRCTSDALDH1A1TDP1
Hydrochloric Acid SCHEMBL8302538 0.96 GPR35 (0.55) GPR35TSHRCTSDALDH1A1TDP1
Aziridine SCHEMBL3049817 0.90 GPR35 (0.49) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL782562 0.89 GPR35 (0.47) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL19127226 0.89 GPR35 (0.47) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL5792626 0.87 TSHR (0.48) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL30893562 0.83 TSHR (0.68) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL3671 0.83 TSHR (0.68) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL7417028 0.83 GPR35 (0.60) GPR35TSHRCTSDALDH1A1TDP1
SCHEMBL7263414 0.83 GPR35 (0.60) GPR35TSHRCTSDALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500483-A Microspheres with flow-through voids as embolization and drug delivery agents 耶路撒冷希伯来大学伊森姆研究发展有限公司 2024-02-02 CN claimed
CN-117500483-A Microspheres with flow-through voids as embolization and drug delivery agents 耶路撒冷希伯来大学伊森姆研究发展有限公司 2024-02-02 CN disclosed
EP-2816036-B1 PRODRUG USING NITROIMIDAZOLE UNIV TSUKUBA (JP) 2019-04-17 EP disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
EP-2366691-B1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO LTD (CN) 2015-04-15 EP disclosed
US-8940770-B2 Nitropyridinyl ethyleneimine compound, the pharmaceutical composition containing it, the preparation method and use thereof BEIJING YILING BIOENGINEERING CO., LTD. (CN) 2015-01-27 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
EP-2816036-A1 PRODRUG USING NITROIMIDAZOLE University of Tsukuba (JP) 2014-12-24 EP disclosed
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2014-03-13 US disclosed
US-8609851-B2 Nitropyridinyl ethyleneimine compound, the pharmaceutical composition containing it, the preparation method and use thereof BEIJING YILING BIOENGINEERING CO., LTD. (CN) 2013-12-17 US disclosed
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2012-03-22 US disclosed
EP-2366691-A1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF Beijing Yiling Bioengineering Co., Ltd. (CN) 2011-09-21 EP 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-20140378673-A1 PRODRUG USING NITROIMIDAZOLE HIF1AN, HIF1A, PAICS GPR35 2819/4885TSHR 4568/4885CTSD 1665/4885
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 GPR35 2108/4885TSHR 4235/4885CTSD 3016/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 GPR35 2108/4885TSHR 4235/4885CTSD 3016/4885

“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.