SCHEMBL801406

SCHEMBL801406

O=C(O)c1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 3/20 0.43
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4C Q9H3R0 2/20 0.41
KDM5A P29375 1/20 0.41
CDK2 P24941 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31092297 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4EASPHKDM8
Nitrous Acid SCHEMBL29105413 0.94 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL31092300 0.86 KMT2A (0.49) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL801078 0.86 KMT2A (0.49) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL16563790 0.82 ATR (0.49) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL31693360 0.80 ASPH (0.55) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL27888702 0.80 KDM4E (0.43) SMN1; SMN2KDM4EASPHKDM8ALDH1A1
SCHEMBL15758083 0.80 ASPH (0.55) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL29105412 0.80 RAB9A (0.40) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL29105406 0.79 NUDT1 (0.46) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557886-B Synthesis method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2024-09-27 CN claimed
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN claimed
CN-115650909-A Synthetic method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2023-01-31 CN claimed
CN-115557886-A Synthetic method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2023-01-03 CN claimed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
WO-2025264818-A1 STAT6 MODULATORS AND METHODS OF USES THEREOF RAYTHERA, INC. (US) 2025-12-26 WO disclosed
EP-4651907-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME Adcentrx Therapeutics Inc. (US) 2025-11-26 EP disclosed
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed
CN-115557886-B Synthesis method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2024-09-27 CN disclosed
CN-115557886-B Synthesis method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2024-09-27 CN disclosed
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 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-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-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-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-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
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

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-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 SMN1; SMN2 3153/4885LMNA 2967/4885KDM4E 1856/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 SMN1; SMN2 3153/4885LMNA 2967/4885KDM4E 1856/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT SMN1; SMN2 1776/4885LMNA 2375/4885KDM4E 366/4885

“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.