SCHEMBL621806

SCHEMBL621806

O=C(Cn1cccc(OCc2ccccc2)c1=O)NOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.45
ERAP2 Q6P179 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
MAPK14 Q16539 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
BRD4 O60885 1/20 0.41
SGMS2 Q8NHU3 3/20 0.40
LTA4H P09960 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8106275 0.85 IL1RN (0.49) IL1RNERAP2ERAP1MAPK14KDM4E
SCHEMBL8100824 0.83 MAPK14 (0.49) IL1RNERAP2ERAP1MAPK14MAPT
SCHEMBL8102567 0.83 BRD4 (0.54) IL1RNERAP2ERAP1MAPK14KDM4E
SCHEMBL8106183 0.81 KDM4E (0.51) IL1RNERAP2ERAP1KDM4EMAPT
SCHEMBL20382946 0.81 MAPK14 (0.49) IL1RNERAP2ERAP1MAPK14MAPT
SCHEMBL621015 0.79 ERAP2 (0.55) IL1RNERAP2ERAP1KDM4ENPC1
SCHEMBL8102831 0.79 KDM4E (0.49) IL1RNERAP2ERAP1KDM4EMAPT
SCHEMBL622182 0.78 ALDH1A1 (0.50) KDM4EMAPTNPC1HTTBRD4
SCHEMBL9512037 0.76 KDM4E (0.44) IL1RNERAP2ERAP1KDM4EMAPT
SCHEMBL271730 0.76 MAPK14 (0.68) MAPK14KDM4EMAPTNPC1HTT

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 10 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

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 IL1RN 948/4885ERAP2 1068/4885ERAP1 314/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 IL1RN 948/4885ERAP2 1068/4885ERAP1 314/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 IL1RN 948/4885ERAP2 1068/4885ERAP1 314/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 IL1RN 948/4885ERAP2 1068/4885ERAP1 314/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 IL1RN 948/4885ERAP2 1068/4885ERAP1 314/4885

“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.