SCHEMBL4845349

SCHEMBL4845349

Nc1ccc(NCCCOCC(O)CN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ATM Q13315 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.40
HSP90AB1 P08238 2/20 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
SCHEMBL5904812 0.80 USP2 (0.41) ALDH1A1
SCHEMBL4845325 0.77 KDM1A (0.47) KMT2AATMCYP2D6CYP2C19KDM4E
SCHEMBL4852978 0.74 LMNA (0.38) CYP2D6CYP2C19KDM4ETSHRALDH1A1
SCHEMBL3988708 0.72 BACE1 (0.50) ALDH1A1
SCHEMBL6650216 0.72 APP (0.43) ALDH1A1GAA
SCHEMBL6677560 0.72 APP (0.43) ALDH1A1GAA
SCHEMBL16314604 0.72 ATM (0.82) KMT2AATMCYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL4808510 0.71 BACE1 (0.49) ALDH1A1
SCHEMBL10982797 0.71 ATM (0.85) KMT2AATMCYP2D6CYP2C19KDM4E
SCHEMBL14020065 0.71 ATM (0.85) KMT2AATMCYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US claimed
US-20060005322-A1 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1580185-A1 Secondary n-Alkylhydroxylated p-Phenylendiamins, dye composition for keratin fibers containing them, processes and uses. L'OREAL (FR) 2005-09-28 EP claimed
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 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 (1 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-20060005322-A1 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition KRT18, CDC73, PRKDC KMT2A 699/4885ATM 2076/4885CYP2D6 1126/4885

“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.