SCHEMBL6359999

SCHEMBL6359999

CCOC(=O)CN.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ABCB1 P08183 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PPID Q08752 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
Toluene SCHEMBL27616428 0.85 MEN1 (0.49) PPIDSMN1; SMN2CYP4F2CYP4A11MEN1
Phenol SCHEMBL27447861 0.84 KMT2A (0.47) PPIDSMN1; SMN2MAPTCYP4F2CYP4A11
Phenol SCHEMBL28177205 0.82 KMT2A (0.46) PPIDSMN1; SMN2MAPTCYP4F2CYP4A11
Benzophenone SCHEMBL28209504 0.82 ELANE (0.51) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.81 TDP1 (0.75) ALOX5ABCB1TDP1SMN1; SMN2MAPT
SCHEMBL1960554 0.81 TDP1 (0.63) ALOX5TDP1SMN1; SMN2L3MBTL1LMNA
Phenylalanine SCHEMBL28285410 0.81 SLC7A5 (0.65)
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.80 TDP1 (0.72) ALOX5ABCB1TDP1SMN1; SMN2MAPT
SCHEMBL12064833 0.79 ALOX5 (0.72) ALOX5ABCB1TDP1SMN1; SMN2CYP4F2
SCHEMBL27500000 0.79 SMN1; SMN2 (0.46) PPIDSMN1; SMN2MAPTCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-02-16 US disclosed
US-11072610-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2021-07-27 US disclosed
EP-3849979-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS Novartis AG (CH) 2021-07-21 EP disclosed
WO-2020053654-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-19 WO disclosed
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-12 US disclosed
CN-104470905-B The miscellaneous azepine * assimilation compounds of substitution 霍夫曼-拉罗奇有限公司 2017-09-12 CN disclosed
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 ALOX5 780/4885ABCB1 3682/4885TDP1 3057/4885
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP ALOX5 2379/4885ABCB1 587/4885TDP1 607/4885
US-11072610-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP ALOX5 2379/4885ABCB1 587/4885TDP1 607/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP ALOX5 2379/4885ABCB1 587/4885TDP1 607/4885

“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.