SCHEMBL4847013

SCHEMBL4847013

Nc1ccc(N2CCC(O)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.43
CRBN Q96SW2 3/20 0.43
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
GFER P55789 3/20 0.39
CASP6 P55212 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL5846834 0.84 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC1HDAC8
SCHEMBL16422794 0.84 FPR2 (0.48) CCNA2CDK2CCNA1GFERMAPT
SCHEMBL18048847 0.84 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC1HDAC8
SCHEMBL18048717 0.84 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC1HDAC8
SCHEMBL826237 0.83 MEN1 (0.50) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL826412 0.83 MEN1 (0.50) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL3083319 0.83 MEN1 (0.50) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL2735075 0.82 CA1 (0.54) ALDH1A1KDM4EPOLBLMNATDP1
SCHEMBL13846075 0.81 CCNA2 (0.39) DDB1CRBNCCNA2CDK2CCNA1
SCHEMBL4573116 0.80 CCNA2 (0.38) DDB1CRBNCCNA2CDK2CCNA1

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-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7422609-B2 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2008-09-09 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 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 (6 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-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers KRT18, CDC73, DSP DDB1 87/4885CRBN 1066/4885CCNA2 2017/4885
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 DDB1 271/4885CRBN 564/4885CCNA2 2653/4885
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE KRT18, CDC73, PRKDC DDB1 463/4885CRBN 739/4885CCNA2 1414/4885
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers KRT18, CDC73, JUP DDB1 139/4885CRBN 563/4885CCNA2 1945/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC DDB1 463/4885CRBN 739/4885CCNA2 1414/4885
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing KRT18, CDC73, AOC1 DDB1 190/4885CRBN 979/4885CCNA2 505/4885

“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.