SCHEMBL12263307

SCHEMBL12263307

O=C(O)c1ccc(-c2cccn(CCN3CCCOCC3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
CD274 Q9NZQ7 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KLKB1 P03952 1/20 0.42
USP2 O75604 1/20 0.42
OPRK1 P41145 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12263292 0.95 CNR2 (0.48) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL12263345 0.91 ITGB1 (0.44) CNR2CNR1ALDH1A1KMT2AKDM4E
SCHEMBL12263334 0.90 USP2 (0.47) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL12263347 0.90 ITGB1 (0.44) CNR2CNR1ALDH1A1KMT2AKDM4E
SCHEMBL12263305 0.87 SMN1; SMN2 (0.50) CNR2CNR1ALDH1A1HPGD
SCHEMBL12263324 0.84 CNR2 (0.42) CNR2CNR1ALDH1A1KDM4EOPRK1
SCHEMBL12263339 0.83 KDM4E (0.46) ALDH1A1KMT2AKDM4EOPRK1ITGB1
SCHEMBL14141441 0.83 ITGB1 (0.42) CNR2CNR1ALDH1A1KDM4EOPRK1
SCHEMBL12263291 0.82 SMN1; SMN2 (0.54) CNR2CNR1ALDH1A1KMT2ACD274
SCHEMBL12263311 0.82 KDM4E (0.43) CNR2CNR1CD274HPGDKDM4E

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 5 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
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 CNR2 2037/4885CNR1 2180/4885ALDH1A1 3722/4885

“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.