SCHEMBL992165

SCHEMBL992165

NCCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
KAT2B Q92831 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12798874 0.91 TDP1 (0.62) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL9820329 0.86 TDP1 (0.61) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL11295679 0.86 TDP1 (0.56) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL31423774 0.85 TDP1 (0.60) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL11079242 0.85 TDP1 (0.60) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL5952783 0.84 TSHR (0.56) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL4719966 0.84 TSHR (0.58) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL27947665 0.84 TDP1 (0.55) TDP1ALDH1A1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL7368798 0.84 TDP1 (0.58) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL30989211 0.83 TDP1 (0.62) TDP1ALDH1A1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014133526-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-09-04 WO claimed
EP-3441389-B1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2021-09-08 EP disclosed
CN-109311865-B Pyrazole-oxazolidinone compound for resisting hepatitis B virus 上海挚盟医药科技有限公司 2021-08-31 CN disclosed
US-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA, INC. (CN) 2019-05-23 US disclosed
EP-3441389-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS Shanghai Zhimeng Biopharma Co., Ltd (CN) 2019-02-13 EP disclosed
CN-109311865-A Pyrazole-oxazolidinone compound for resisting hepatitis B virus 上海挚盟医药科技有限公司 2019-02-05 CN disclosed
US-9846345-B2 Colored pigment particles for electrophoretic displays EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-12-19 US disclosed
US-20160018716-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS CRESTLINE DIRECT FINANCE, L.P. 2016-01-21 US disclosed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
WO-2014133526-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-09-04 WO disclosed
CN-102471317-B Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2014-02-26 CN disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
CN-102471317-A Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2012-05-23 CN disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 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 (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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 TDP1 1372/4885ALDH1A1 1382/4885CYP3A4 1881/4885
US-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS HAVCR2, ZC3HAV1, ZC3HAV1L TDP1 4457/4885ALDH1A1 795/4885CYP3A4 16/4885
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 TDP1 639/4885ALDH1A1 1341/4885CYP3A4 2520/4885

“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.