SCHEMBL622182

SCHEMBL622182

O=C(Cn1cccc(OCc2ccccc2)c1=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
BRD4 O60885 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 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
SCHEMBL8106275 0.80 IL1RN (0.49) ALDH1A1MAPTKDM4ENPC1BRD4
SCHEMBL621903 0.80 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8100824 0.78 MAPK14 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8102567 0.78 BRD4 (0.54) ALDH1A1MAPTKDM4ENPC1BRD4
SCHEMBL621806 0.78 IL1RN (0.45) MAPTKDM4ENPC1LMNABRD4
SCHEMBL8106183 0.76 KDM4E (0.51) MAPTKMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL20382946 0.76 MAPK14 (0.49) MAPTSMN1; SMN2BRD4L3MBTL1RXRA
SCHEMBL8102831 0.75 KDM4E (0.49) MAPTKMT2AKDM4ENPC1BRD4
SCHEMBL9512037 0.72 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL271730 0.71 MAPK14 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 US disclosed
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US disclosed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 US disclosed
US-7579486-B2 Metalloprotein inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-08-25 US disclosed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US disclosed
EP-1755586-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS The Regents of the University of California (US) 2007-02-28 EP disclosed
WO-2006028523-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO USDC Technology Transfer Office (US) 2006-03-16 WO 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 (5 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MAPT 4047/4885MEN1 1721/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 ALDH1A1 918/4885MAPT 4047/4885MEN1 1721/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MAPT 4047/4885MEN1 1721/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MAPT 4047/4885MEN1 1721/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MAPT 4047/4885MEN1 1721/4885

“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.