SCHEMBL5090099

SCHEMBL5090099

CC(=O)c1cc(C(C)=O)cc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ PARP1 P09874 5/20 0.43
▸ NOS1 P29475 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ NOS3 P29474 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ DHODH Q02127 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13790658 0.91 DHODH (0.55) CA5AMKNK1MKNK2PARP1CYP3A4
SCHEMBL4730653 0.91 FURIN (0.45) CA5AMKNK1MKNK2PARP1NOS1
SCHEMBL813450 0.85 PARP1 (0.53) PARP1CYP3A4SMN1; SMN2TSHRDHODH
SCHEMBL669554 0.85 CA5A (0.67) CA5ANOS1CYP3A4NOS3SMN1; SMN2
SCHEMBL24160674 0.85 PARP10 (0.42) CA5AMKNK1MKNK2PARP1NOS1
SCHEMBL28970077 0.85 CA5A (0.40) CA5AMKNK1MKNK2PARP1NOS1
SCHEMBL13307467 0.85 CA5A (0.40) CA5AMKNK1MKNK2PARP1NOS1
SCHEMBL25011455 0.85 CA5A (0.40) CA5AMKNK1MKNK2PARP1NOS1
SCHEMBL1086463 0.80 PARP1 (0.63) PARP1CYP3A4TSHRPOLBMAPT
SCHEMBL22946249 0.80 PARP10 (0.58) CYP3A4SMN1; SMN2LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10784417-B2 Wavelength conversion film FUJIFILM CORPORATION (JP) 2020-09-22 — — US disclosed
US-20190348578-A1 WAVELENGTH CONVERSION FILM FUJIFILM CORPORATION (JP) 2019-11-14 — — US disclosed
WO-2017025298-A1 CROSS-LINKED STAR-SHAPED SELF-ASSEMBLED POLYPEPTIDES AND ITS USE AS CARRIERS IN BIOMEDICAL APPLICATIONS CENTRO DE INVESTIGACION PRINCIPE FELIPE (ES) 2017-02-16 — — WO disclosed
US-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 — — US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 — — US disclosed
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 — — US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 — — US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 — — EP disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 — — US disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 — — 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 (3 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 CA5A 2058/4885MKNK1 1549/4885MKNK2 957/4885
US-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME CA5A 3619/4885MKNK1 4282/4885MKNK2 3982/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CA5A 953/4885MKNK1 2763/4885MKNK2 2225/4885

“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.

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