SCHEMBL2396562

SCHEMBL2396562

COC(=O)c1ccc(-c2cccn(CCN(C)C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
RXRA P19793 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
KDM4E B2RXH2 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL12263340 0.93 RXRA (0.48) ALDH1A1ALDH1A2ALDH1A3RXRAHPGD
SCHEMBL12263297 0.88 ALDH1A1 (0.42) ALDH1A1ALDH1A2ALDH1A3HPGDSMN1; SMN2
SCHEMBL12263319 0.88 ALDH1A1 (0.40) ALDH1A1ALDH1A2ALDH1A3RXRAHPGD
SCHEMBL2396743 0.87 ALDH1A1 (0.46) ALDH1A1ALDH1A2ALDH1A3HPGDSMN1; SMN2
SCHEMBL12263341 0.87 MAPT (0.53) ALDH1A1ALDH1A2ALDH1A3RXRAHPGD
SCHEMBL12311515 0.86 ALDH1A1 (0.40) ALDH1A1ALDH1A2ALDH1A3HPGDSMN1; SMN2
SCHEMBL2398404 0.86 ITGB1 (0.47) ALDH1A1HPGDSMN1; SMN2ADORA2AADORA2B
SCHEMBL12263449 0.85 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH1A3HPGDSMN1; SMN2
SCHEMBL12263353 0.85 ALDH1A1 (0.38) ALDH1A1ALDH1A2ALDH1A3RXRAHPGD
SCHEMBL12263316 0.84 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH1A3RXRAHPGD

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 ALDH1A1 3722/4885ALDH1A2 4643/4885ALDH1A3 4737/4885

“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.