SCHEMBL4076398

SCHEMBL4076398

NCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.66
CTNNB1 P35222 1/20 0.66
GAA P10253 1/20 0.56
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.55
PTPN7 P35236 1/20 0.55
PTPN12 Q05209 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HGFAC Q04756 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 1/20 0.48
AOC3 Q16853 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL28122213 0.98 BCL9 (0.64) BCL9CTNNB1GAAKMT2APKM
SCHEMBL7161403 0.86 BCL9 (0.71) BCL9CTNNB1GAAKMT2APKM
SCHEMBL9967879 0.85 BCL9 (0.70) BCL9CTNNB1GAAKMT2APKM
SCHEMBL957930 0.85 BCL9 (0.81) BCL9CTNNB1GAAKMT2APKM
SCHEMBL11718045 0.84 BCL9 (0.68) BCL9CTNNB1GAAKMT2APKM
SCHEMBL3749119 0.84 BCL9 (0.68) BCL9CTNNB1GAAKMT2APKM
SCHEMBL7787947 0.83 BCL9 (0.68) BCL9CTNNB1GAAKMT2APKM
SCHEMBL3422432 0.83 BCL9 (0.55) BCL9CTNNB1GAAKMT2APKM
SCHEMBL3758383 0.83 BCL9 (0.62) BCL9CTNNB1GAAKMT2APKM
SCHEMBL5370222 0.83 BCL9 (0.67) BCL9CTNNB1GAAKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118079030-A Drug-loaded polymer nano micelle and preparation method and application thereof 郑州大学 2024-05-28 CN claimed
CN-104870603-A Organic phosphorescent materials and methods for their preparation and use EMPIRE TECHNOLOGY DEV LLC 2015-08-26 CN claimed
CN-118079030-A Drug-loaded polymer nano micelle and preparation method and application thereof 郑州大学 2024-05-28 CN disclosed
CN-111039730-A Waterproof formula of smokeless and sulfur-free firecracker nitrate medicament and preparation method thereof 江西吉润花炮新材料科技有限公司 2020-04-21 CN disclosed
CN-106380415-B A kind of preparation method of D, L- phenylglycine and the like 宁夏紫光天化蛋氨酸有限责任公司 2019-01-22 CN disclosed
EP-3250040-A1 METHOD DuPont Nutrition Biosciences ApS (DK) 2017-12-06 EP disclosed
CN-106380415-A Preparation method for D, L-phenylglycine and analogue thereof 宁夏紫光天化蛋氨酸有限责任公司 2017-02-08 CN disclosed
WO-2016123326-A1 METHOD DUPONT NUTRITION BIOSCIENCES APS (DK) 2016-08-04 WO disclosed
CN-104870603-A Organic phosphorescent materials and methods for their preparation and use EMPIRE TECHNOLOGY DEV LLC 2015-08-26 CN disclosed
CN-104356177-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-02-18 CN disclosed
CN-104163770-A Method for extraction separation of 4-nitrobenzene glycine enantiomer by multistage centrifugal extractor HUNAN INST SCIENCE & TECH 2014-11-26 CN disclosed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
CN-1163619-C Method and compositions for determining sequence of nucleic acid molecules �Ѹ�������ѧ��˾ 2004-08-25 CN disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO disclosed
CN-1270598-A Methods and compounds for analyzing nucleic acids by mass spectrometry RAPIGENE INC (US) 2000-10-18 CN disclosed
US-5998580-A PROVIDING AN AMINO ACID INCLUDING A PHOTOLABILE MOLECULE AND INCORPORATING THE AMINO ACID INTO A PEPTIDE DURING SYNTHESIS, WHEREIN INCORPORATION OF THE AMINO ACID INTO THE PEPTIDE PRODUCES A PHOTOSENSITIVE PEPTIDE NATIONAL INSTITUTES OF HEALTH, THE 1999-12-07 US disclosed
CN-1212021-A Method and compositions for determining sequence of nucleic acid molecules RAPIGENE INC (US) 1999-03-24 CN disclosed
CN-1212020-A Method and compositions for analyzing nucleic acid molecules utilizing sizing techniques RAPIGENE INC (US) 1999-03-24 CN disclosed
WO-1997013782-A1 PHOTOSENSITIVE CAGED MACROMOLECULES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-04-17 WO 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 (1 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 BCL9 3332/4885CTNNB1 424/4885GAA 132/4885

“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.