SCHEMBL5149093

SCHEMBL5149093

Cn1nc(C(=O)C(=O)c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CES2 O00748 8/20 0.47
CES1 P23141 7/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 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
SCHEMBL6133928 0.81 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL6538767 0.80 LMNA (0.42) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL5152357 0.80 CES2 (0.43) L3MBTL1CES2CES1ALDH1A1MAPT
SCHEMBL5149263 0.80 CES2 (0.43) CES2CES1ALDH1A1MAPTHTT
SCHEMBL286957 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL31728945 0.74 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL21395235 0.73 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL2306577 0.73 MAPT (0.55) L3MBTL1ALDH1A1MAPTHTTRAB9A
Benzil SCHEMBL4832229 0.69 CES2 (0.88) L3MBTL1CES2CES1ALDH1A1MAPT
Benzil SCHEMBL27655380 0.69 CES2 (0.88) L3MBTL1CES2CES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 L3MBTL1 1362/4885CES2 2400/4885CES1 3316/4885

“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.