SCHEMBL12263263

SCHEMBL12263263

O=C(O)c1ccc(-c2cnc[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
AXL P30530 2/20 0.45
CAMKK2 Q96RR4 2/20 0.45
SGK1 O00141 1/20 0.45
MAP4K4 O95819 4/20 0.43
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TLK2 Q86UE8 1/20 0.42
XDH P47989 1/20 0.41
TDP2 O95551 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ADH5 P11766 1/20 0.40

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
SCHEMBL2396875 0.81 SGK1 (0.49) CAMKK2SGK1KDM4EALDH1A1
SCHEMBL6764983 0.80 CYP3A4 (0.53) KDM4EALDH1A1TSHR
SCHEMBL6638123 0.77 CYP3A4 (0.60) MKNK1MKNK2KDM4EALDH1A1TP53
SCHEMBL17208848 0.73 BCL2L1 (0.60) MAP4K4BCL2L1BADKDM4ETP53
SCHEMBL9564854 0.73 ALDH1A1 (0.44) CAMKK2SGK1KDM4EALDH1A1TSHR
SCHEMBL4659229 0.72 NAPRT (0.52) GRIK1GRIK2GRIK3AXLCAMKK2
SCHEMBL27679889 0.72 MAPT (0.64) KDM4EALDH1A1XDH
SCHEMBL8320778 0.72 RARB (0.42) ALDH1A1TP53
SCHEMBL23501870 0.71 TSHR (0.63) BCL2L1BADALDH1A1TP53TSHR
SCHEMBL2942251 0.71 TSHR (0.63) BCL2L1BADALDH1A1TP53TSHR

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-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 MKNK1 3876/4885MKNK2 3711/4885GRIK1 3705/4885

“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.