SCHEMBL2398557

SCHEMBL2398557

COC(=O)c1ccc(-c2cccn(CCN3CCN(C)C(=O)C3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PRKAB2 O43741 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
SCHEMBL12263285 0.88 ITGB1 (0.43) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL12263448 0.87 CHKA (0.51) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL12263343 0.86 SMN1; SMN2 (0.52) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL2397306 0.86 FGFR1 (0.39) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL12263346 0.85 SMN1; SMN2 (0.53) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL12263291 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGD
SCHEMBL12263366 0.82 OPRK1 (0.45) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL12263308 0.82 ALDH1A1 (0.47) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL12263300 0.81 CARM1 (0.43) CHKAMAPTLMNAALDH1A1ALDH1A2
SCHEMBL2396743 0.81 ALDH1A1 (0.46) MAPTLMNAALDH1A1ALDH1A2ALDH1A3

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 8 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-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
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
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 CHKA 3784/4885MAPT 4500/4885LMNA 1468/4885

“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.