SCHEMBL621903

SCHEMBL621903

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ERAP2 Q6P179 3/20 0.57
IL1RN P18510 2/20 0.57
ERAP1 Q9NZ08 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL8268679 0.82 ERAP2 (0.66) ALDH1A1MEN1KMT2AERAP2IL1RN
SCHEMBL622182 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9132902 0.75 POLB (0.69) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8268683 0.74 ERAP2 (0.78) ALDH1A1MEN1KMT2AERAP2IL1RN
SCHEMBL8268695 0.74 MEN1 (0.55) ALDH1A1MEN1KMT2AERAP2IL1RN
SCHEMBL8102285 0.73 ERAP2 (0.54) ERAP2IL1RNERAP1GAALMNA
SCHEMBL621015 0.73 ERAP2 (0.55) ALDH1A1ERAP2IL1RNERAP1KDM4E
SCHEMBL5179205 0.72 EGLN1 (0.53) ALDH1A1MEN1KMT2AERAP2IL1RN
SCHEMBL8102037 0.71 ERAP2 (0.59) ERAP2IL1RNERAP1KDM4E
SCHEMBL3455874 0.70 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EMAPT

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 8 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-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 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 (4 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 918/4885MEN1 1721/4885KMT2A 1541/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 ALDH1A1 918/4885MEN1 1721/4885KMT2A 1541/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MEN1 1721/4885KMT2A 1541/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885MEN1 1721/4885KMT2A 1541/4885

“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.