SCHEMBL20501018

SCHEMBL20501018

CC(C)(C)OC(=O)n1c(-c2cccc([N+](=O)[O-])c2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.42
MAPT P10636 9/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
F12 P00748 1/20 0.40
NR3C2 P08235 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL28645084 0.85 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1PKMMAPT
SCHEMBL4066085 0.84 FYN (0.43)
SCHEMBL28658025 0.83 GAA (0.47) ALDH1A1GAAL3MBTL1PKMMAPT
SCHEMBL4239418 0.82 GABRG2 (0.44) CYP1A2CYP3A4
SCHEMBL13663125 0.81 CYP1A2 (0.49) ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20501024 0.81 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31226734 0.80 ALDH1A1 (0.45) ALDH1A1PKMMAPTKMT2ARAB9A
SCHEMBL4063071 0.79 MEN1 (0.46) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL4606178 0.78 ALDH1A1 (0.57) ALDH1A1PKMMAPTKMT2ARAB9A
SCHEMBL21296822 0.76 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125763-A1 COMPOSITIONS PROVIDING ENHANCED ANTIBACTERIAL ACTIVITY AGAINST GRAM-POSITIVE BACTERIA AND USE THEREOF Anifera Limited (GB) 2022-04-28 US disclosed
US-20220125763-A1 COMPOSITIONS PROVIDING ENHANCED ANTIBACTERIAL ACTIVITY AGAINST GRAM-POSITIVE BACTERIA AND USE THEREOF Anifera Limited (GB) 2022-04-28 US disclosed
CN-113614092-A Compositions providing enhanced antibacterial activity against gram-positive bacteria and uses thereof 阿尼弗拉有限公司 2021-11-05 CN disclosed
CN-110740645-A 2-aminoimidazole-phenyl derivatives for controlling microbial growth 北卡罗莱纳州立大学 2020-01-31 CN disclosed
WO-2018169752-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NORTH CAROLINA STATE UNIVERSITY (US) 2018-09-20 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-20220125763-A1 COMPOSITIONS PROVIDING ENHANCED ANTIBACTERIAL ACTIVITY AGAINST GRAM-POSITIVE BACTERIA AND USE THEREOF AAAS, PEPD, CLPP ALDH1A1 4800/4885GAA 1274/4885L3MBTL1 1366/4885

“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.