SCHEMBL16807231

SCHEMBL16807231

CN1CC[N+](C)(CCOc2ccc(N)cc2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
ADRA2C P18825 2/20 0.35
PRSS1 P07477 8/20 0.33
RAD52 P43351 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.32
NR1H2 P55055 1/20 0.32
GFER P55789 1/20 0.31

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
SCHEMBL2927526 0.93 MEN1 (0.49) KDM4EMAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5566560 0.92 MEN1 (0.48) KDM4EMAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7739976 0.91 KDM4E (0.50) KDM4EMAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7739978 0.90 KDM4E (0.49) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL15567879 0.86 KDM4E (0.55) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL15568107 0.85 HTT (0.54) KDM4EMAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL15567299 0.83 KDM4E (0.56) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL15567508 0.82 GAA (0.51) KDM4EMAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7741352 0.82 KDM4E (0.44) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL2928557 0.81 GAA (0.57) KDM4EMAPTGAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
WO-2015086676-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2015-06-18 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 (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-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT KRT18, VIM, SORD KDM4E 2067/4885MAPT 29/4885GAA 4553/4885

“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.