SCHEMBL6288053

SCHEMBL6288053

CC(=O)c1cc(N2CCC(O)CC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.54
LGMN Q99538 3/20 0.45
PRKDC P78527 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
ABL1 P00519 1/20 0.41
GAA P10253 4/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
LRRK2 Q5S007 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL341383 0.84 IP6K1 (0.73) IP6K1PRKDCMAPTALDH1A1GAA
SCHEMBL11736864 0.83 IP6K1 (0.71) IP6K1PRKDCMAPTALDH1A1GAA
SCHEMBL10739901 0.82 MAPT (0.59) IP6K1PRKDCMAPTALDH1A1GAA
SCHEMBL340945 0.81 PRKDC (0.67) IP6K1LGMNPRKDCMAPTALDH1A1
Hydrochloric Acid SCHEMBL3503462 0.81 MAPT (0.58) IP6K1PRKDCMAPTALDH1A1GAA
SCHEMBL14892234 0.79 CDK1 (0.48) IP6K1LGMNMAPTALDH1A1CDK1
SCHEMBL17774937 0.78 IP6K1 (0.49) IP6K1LGMNCDK1CDK2ABL1
SCHEMBL7674084 0.77 IP6K1 (0.54) IP6K1LGMNMAPTALDH1A1GAA
SCHEMBL17742360 0.75 CDK1 (0.45) IP6K1LGMNMAPTALDH1A1CDK1
SCHEMBL23293775 0.75 IP6K1 (0.55) IP6K1LGMNMAPTALDH1A1GAA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890362-B2 Oxidation dyeing composition for keratinous fibers and dyeing method using same L'OREAL, S.A. (FR) 2005-05-10 US claimed
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US claimed
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US claimed
US-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent L'OREAL S.A. (FR) 2003-08-28 US claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 US claimed
EP-1263398-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-12-11 EP claimed
EP-1263399-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-12-11 EP claimed
EP-1263397-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2002-12-11 EP claimed
CN-1372458-A Oxidation dyeing composition for keratinous fibres and dyeing method using said composition OREAL (FR) 2002-10-02 CN claimed
EP-1181004-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-02-27 EP claimed
EP-1181005-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-02-27 EP claimed
WO-2001066070-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066068-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066072-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066071-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066069-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
US-6890362-B2 Oxidation dyeing composition for keratinous fibers and dyeing method using same L'OREAL, S.A. (FR) 2005-05-10 US disclosed
WO-2001066071-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO disclosed
WO-2001066068-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2001-09-13 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-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent KRT18, CDC73, DAO IP6K1 2954/4885LGMN 2735/4885PRKDC 147/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 IP6K1 4518/4885LGMN 1961/4885PRKDC 88/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 IP6K1 3520/4885LGMN 1137/4885PRKDC 53/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 IP6K1 4098/4885LGMN 2158/4885PRKDC 209/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 IP6K1 4130/4885LGMN 1277/4885PRKDC 102/4885

“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.