SCHEMBL12883299

SCHEMBL12883299

CC(CC(N)=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GRIA4 P48058 1/20 0.42
FFAR1 O14842 1/20 0.42
STAT3 P40763 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.38
KIF11 P52732 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL988029 0.90 ACHE (0.47) ACHEFFAR1STAT3POLBSMN1; SMN2
SCHEMBL5691981 0.84 FFAR1 (0.59) ACHEALDH1A1GRIA4FFAR1STAT3
SCHEMBL12820087 0.84 ACHE (0.65) ACHEALDH1A1GRIA4FFAR1STAT3
SCHEMBL12883156 0.84 ACHE (0.65) ACHEALDH1A1GRIA4FFAR1STAT3
SCHEMBL12883148 0.84 ACHE (0.65) ACHEALDH1A1GRIA4FFAR1STAT3
SCHEMBL5691985 0.84 FFAR1 (0.59) ACHEALDH1A1GRIA4FFAR1STAT3
SCHEMBL14966967 0.82 ALOX5 (0.51) ACHEFFAR1STAT3SMN1; SMN2EPHX1
SCHEMBL14236756 0.82 PARP10 (0.47) ACHEALDH1A1FFAR1STAT3POLB
SCHEMBL6223098 0.82 ALOX5 (0.51) ACHEFFAR1STAT3SMN1; SMN2EPHX1
SCHEMBL1225215 0.82 GABBR2 (0.47) ACHEFFAR1POLBCYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 CN disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US 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-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 ACHE 10/4885ALDH1A1 1414/4885GRIA4 76/4885

“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.