SCHEMBL2396695

SCHEMBL2396695

COC(=O)c1ccc(-c2cccn(C3CCN(C)CC3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.49
SCN2A Q99250 3/20 0.49
SCN3A Q9NY46 3/20 0.49
HPGD P15428 2/20 0.44
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH1A3 P47895 1/20 0.42
CHKA P35790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL12263453 0.86 SCN1A (0.46) SCN1ASCN2ASCN3AHPGDCHRM3
SCHEMBL12263288 0.78 SMN1; SMN2 (0.50) HPGDALDH1A1ALDH1A2ALDH1A3SMN1; SMN2
SCHEMBL12263448 0.77 CHKA (0.51) SCN1ASCN2ASCN3AHPGDALDH1A1
SCHEMBL12263366 0.74 OPRK1 (0.45) CHRM4ALDH1A1ALDH1A2ALDH1A3CHKA
SCHEMBL2396743 0.74 ALDH1A1 (0.46) HPGDMEN1KMT2AALDH1A1ALDH1A2
SCHEMBL12263300 0.73 CARM1 (0.43) SCN1ASCN2ASCN3ACHRM3CHRM4
SCHEMBL12263343 0.73 SMN1; SMN2 (0.52) HPGDMEN1KMT2AALDH1A1ALDH1A2
SCHEMBL12263346 0.72 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1ALDH1A2ALDH1A3
SCHEMBL12263308 0.72 ALDH1A1 (0.47) HPGDALDH1A1ALDH1A2ALDH1A3CHKA
SCHEMBL12263449 0.72 ALDH1A1 (0.47) HPGDKMT2AALDH1A1ALDH1A2ALDH1A3

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 9 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
CN-101304969-A Benzene derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-11-12 CN 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 SCN1A 1455/4885SCN2A 2345/4885SCN3A 1899/4885

“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.