SCHEMBL5686602

SCHEMBL5686602

COc1ccc(NCCO)cc1N.Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
BCL6 P41182 3/20 0.40
PRSS1 P07477 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMPD1 P17405 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 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
SCHEMBL7601405 0.95 GAA (0.47) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL29358077 0.87 GAA (0.47) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL36033 0.87 GAA (0.47) GAAKDM4EALDH1A1MAPTTP53
Hydrochloric Acid SCHEMBL28434861 0.85 ALDH1A1 (0.47) GAAKDM4EALDH1A1MAPTTP53
Hydrochloric Acid SCHEMBL6573892 0.85 ALDH1A1 (0.47) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL6666136 0.83 BCL6 (0.39) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL8522825 0.82 TDP1 (0.43) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL15791682 0.81 BCL6 (0.38) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL3243921 0.81 GAA (0.41) GAAKDM4EALDH1A1MAPTTP53
SCHEMBL15791681 0.81 BCL6 (0.37) GAAKDM4EALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453476-B1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2006-05-03 EP disclosed
US-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair CLAIROL INCORPORATED 2003-01-09 US disclosed
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR WELLA OPERATIONS US, LLC 2002-08-08 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 (2 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-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, CYB5R3 GAA 4105/4885KDM4E 2406/4885ALDH1A1 589/4885
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 GAA 4593/4885KDM4E 1915/4885ALDH1A1 61/4885

“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.