SCHEMBL12263291

SCHEMBL12263291

COC(=O)c1ccc(-c2cccn(CCN3CCOCC3)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CNR2 P34972 2/20 0.47
CNR1 P21554 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
MGLL Q99685 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44
BRD4 O60885 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12263305 0.96 SMN1; SMN2 (0.50) SMN1; SMN2CNR2CNR1NPSR1ALDH1A1
SCHEMBL12263332 0.95 ALDH1A1 (0.49) SMN1; SMN2CNR2CNR1NPSR1ALDH1A1
SCHEMBL12263343 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1ALDH1A1HPGDATM
SCHEMBL12263346 0.90 SMN1; SMN2 (0.53) SMN1; SMN2CNR2CNR1NPSR1ALDH1A1
SCHEMBL12263448 0.90 CHKA (0.51) SMN1; SMN2ALDH1A1HPGD
SCHEMBL12263323 0.89 SMN1; SMN2 (0.44) SMN1; SMN2CNR2CNR1NPSR1ALDH1A1
SCHEMBL12263366 0.87 OPRK1 (0.45) SMN1; SMN2CNR2CNR1ALDH1A1
SCHEMBL12263308 0.87 ALDH1A1 (0.47) SMN1; SMN2NPSR1ALDH1A1HPGDATM
SCHEMBL12263292 0.86 CNR2 (0.48) CNR2CNR1ALDH1A1HPGDCD274
SCHEMBL12263300 0.86 CARM1 (0.43) SMN1; SMN2CNR2CNR1ALDH1A1

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 SMN1; SMN2 4094/4885CNR2 2037/4885CNR1 2180/4885

“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.