SCHEMBL801078

SCHEMBL801078

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CASP1 P29466 2/20 0.43
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL31092300 1.00 KMT2A (0.49) KMT2ACASP1KDM4EL3MBTL1POLB
SCHEMBL801406 0.86 SMN1; SMN2 (0.50) KMT2AKDM4EL3MBTL1TDP1NPC1
SCHEMBL31092297 0.86 SMN1; SMN2 (0.50) KMT2AKDM4EL3MBTL1TDP1NPC1
SCHEMBL8563215 0.81 KMT2A (0.42) KMT2AKDM4EL3MBTL1POLBCTDSP1
Nitrous Acid SCHEMBL29105413 0.81 SMN1; SMN2 (0.45) KMT2AKDM4EL3MBTL1TDP1NPC1
SCHEMBL29105412 0.80 RAB9A (0.40) KMT2AL3MBTL1POLBTDP1NPC1
SCHEMBL11723471 0.80 TDP1 (0.41) KMT2AKDM4EL3MBTL1POLBCTDSP1
SCHEMBL16563790 0.80 ATR (0.49) KMT2AKDM4EPOLBTDP1ALDH1A1
SCHEMBL14301697 0.78 KMT2A (0.42) KMT2ACASP1KDM4EL3MBTL1POLB
SCHEMBL29105406 0.76 NUDT1 (0.46) KMT2ACASP1KDM4EL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 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
CN-115650909-A Synthetic method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2023-01-31 CN disclosed
CN-115650909-A Synthetic method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2023-01-31 CN 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
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 (2 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 KMT2A 2586/4885CASP1 1675/4885KDM4E 1856/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 KMT2A 2586/4885CASP1 1675/4885KDM4E 1856/4885

“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.