SCHEMBL174157

SCHEMBL174157

CCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
TAAR1 Q96RJ0 1/20 0.45
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14696607 0.84 L3MBTL1 (0.53) ALDH1A1L3MBTL1PKMTAAR1LMNA
SCHEMBL19406117 0.82 L3MBTL1 (0.46) ALDH1A1L3MBTL1PKMTAAR1LMNA
SCHEMBL21198513 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1PKMTAAR1LMNA
SCHEMBL9810683 0.81 L3MBTL1 (0.54) ALDH1A1L3MBTL1PKMTAAR1MAPT
SCHEMBL16896797 0.81 L3MBTL1 (0.54) ALDH1A1L3MBTL1PKMTAAR1LMNA
SCHEMBL27343291 0.81 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMTAAR1MAPT
SCHEMBL24728704 0.80 L3MBTL1 (0.47) ALDH1A1L3MBTL1PKMTAAR1MAPT
SCHEMBL1396121 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1PKMTAAR1MAPT
SCHEMBL9730065 0.80 L3MBTL1 (0.44) ALDH1A1L3MBTL1PKMTAAR1LMNA
SCHEMBL19698979 0.79 L3MBTL1 (0.59) ALDH1A1L3MBTL1PKMTAAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111218005-A Preparation method of nitroimidazole-polyoxometallate copper complex and application of nitroimidazole-polyoxometallate copper complex in electrochemical energy storage aspect 南京农业大学 2020-06-02 CN claimed
CN-117777196-B Method for synthesizing Ai Fulin amide isomer derivative 常州大学 2026-05-19 CN disclosed
CN-117777196-A Method for synthesizing Ai Fulin amide isomer derivative 常州大学 2024-03-29 CN disclosed
CN-111218005-A Preparation method of nitroimidazole-polyoxometallate copper complex and application of nitroimidazole-polyoxometallate copper complex in electrochemical energy storage aspect 南京农业大学 2020-06-02 CN disclosed
US-10174067-B2 Type of cytidine derivative and application thereof CHANGZHOU FANGYUAN PHARMACEUTICAL CO., LTD (CN) 2019-01-08 US disclosed
US-20170355726-A1 NEW TYPE OF CYTIDINE DERIVATIVE AND APPLICATION THEREOF CHANGZHOU FANGYUAN PHARMACEUTICAL CO., LTD (CN) 2017-12-14 US disclosed
US-20170355726-A1 NEW TYPE OF CYTIDINE DERIVATIVE AND APPLICATION THEREOF CHANGZHOU FANGYUAN PHARMACEUTICAL CO., LTD (CN) 2017-12-14 US disclosed
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
EP-2964648-B1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2016-11-16 EP disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 WO disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
CN-102119157-A Tricyclic 2,4-diamino-L,3,5-triazine derivatives useful for the treatment of cancer and myeloproliferative disorders ASTRAZENECA AB 2011-07-06 CN disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 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 (5 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-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 ALDH1A1 4518/4885L3MBTL1 2847/4885PKM 1334/4885
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES EIF2AK4, GCN1, EIF4A2 ALDH1A1 2452/4885L3MBTL1 571/4885PKM 2521/4885
US-10174067-B2 Type of cytidine derivative and application thereof DCTD, TYMP, RNMT ALDH1A1 1109/4885L3MBTL1 1345/4885PKM 4161/4885
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 ALDH1A1 855/4885L3MBTL1 3406/4885PKM 2762/4885
US-20170355726-A1 NEW TYPE OF CYTIDINE DERIVATIVE AND APPLICATION THEREOF DCTD, RNMT, TYMP ALDH1A1 1450/4885L3MBTL1 1667/4885PKM 4220/4885

“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.