SCHEMBL12263446

SCHEMBL12263446

CN(C)CCn1cncc(-c2ccc(C(=O)O)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CSNK2A1 P68400 1/20 0.38
HPGD P15428 2/20 0.37
CHEK1 O14757 3/20 0.36
ADH5 P11766 2/20 0.36
IDO1 P14902 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
PTGER4 P35408 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL12263261 0.80 HPGD (0.44) ADORA2AADORA2BHPGDCHEK1ADH5
SCHEMBL2398404 0.80 ITGB1 (0.47) ADORA2AADORA2BCSNK2A1HPGDITGB1
SCHEMBL12263336 0.72 ITGB1 (0.46) HPGDITGB1ITGA4
SCHEMBL7223616 0.72 KDM5A (0.40) KDM5AKDM5BCSNK2A1
Lithium SCHEMBL31165628 0.71 ALDH1A1 (0.40) KDM5AKDM5B
SCHEMBL12263299 0.70 ITGB1 (0.46) ADORA2AADORA2BHPGDITGB1ITGA4
SCHEMBL20962586 0.69 PDE4A (0.39) P2RX3KDM5AHPGD
SCHEMBL21924449 0.68 PDE4A (0.33) KDM5AKDM5BHPGD
SCHEMBL31618312 0.67 PTGS2 (0.48) IDO1
SCHEMBL28540060 0.67 HTR7 (0.46) HPGDADH5IDO1MKNK1MKNK2

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 4 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

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 P2RX3 4516/4885ADORA2A 4854/4885ADORA2B 3958/4885

“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.