SCHEMBL4027417

SCHEMBL4027417

C#CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.64
MAPT P10636 4/20 0.53
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
GAA P10253 2/20 0.51
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43

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
SCHEMBL11410802 0.89 MGLL (0.55) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL29708171 0.85 MGLL (0.64) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL25191223 0.83 MGLL (0.70) MGLLBCL9CTNNB1GAAFAAH
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.83 MGLL (0.74) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL18703462 0.83 MGLL (0.78) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL14617269 0.81 MGLL (0.84) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL19412173 0.80 MGLL (0.84) MGLLBCL9CTNNB1GAAFAAH
SCHEMBL3398600 0.80 MGLL (0.65) MGLLMAPTBCL9CTNNB1GAA
SCHEMBL10964677 0.80 ALDH1A1 (0.50) MAPTGAARAB9AALDH1A1MAPK1
SCHEMBL14297325 0.80 SMN1; SMN2 (0.50) MGLLGAAKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 WO disclosed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
US-20050124598-A1 Antibiotic compounds EC TECHNOLOGY, LLC (US) 2005-06-09 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2003051314-A2 ANTIBIOTIC COMPOUNDS MEDALLION BIOMEDICAL, LLC (US) 2003-06-26 WO disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 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 (4 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 MGLL 3818/4885MAPT 2449/4885BCL9 3931/4885
US-20050124598-A1 Antibiotic compounds RNGTT, BCDIN3D, COASY MGLL 1385/4885MAPT 4119/4885BCL9 3698/4885
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 MGLL 3146/4885MAPT 3346/4885BCL9 1009/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI MGLL 4842/4885MAPT 4425/4885BCL9 1431/4885

“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.