SCHEMBL16807227

SCHEMBL16807227

C[n+]1ccn(CCCOc2ccc(N)cc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15568036 0.93 MAPT (0.50) KDM4EMEN1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL15567761 0.91 ALDH1A1 (0.51) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL2927908 0.83 MEN1 (0.44) KDM4EMEN1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL6151511 0.82 KDM4E (0.43) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL14784482 0.80 SMN1; SMN2 (0.40) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL15545544 0.78 MEN1 (0.37) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL20856126 0.76 SMN1; SMN2 (0.44) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL15545048 0.75 MAPT (0.41) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL12220267 0.75 KMT2A (0.53) KDM4EMEN1MAPTHTTKMT2A
Iodide SCHEMBL2535058 0.74 KMT2A (0.51) KDM4EMEN1MAPTHTTKMT2A

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 4 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
US-9364404-B2 Dye composition comprising a cationic O-alkyl-substituted meta-phenylenediamine derivative L'OREAL (FR) 2016-06-14 US disclosed
US-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2015-07-23 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 (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-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 2067/4885MEN1 2491/4885MAPT 29/4885
US-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE MT-ND6, C5, C9 KDM4E 4459/4885MEN1 1092/4885MAPT 4160/4885

“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.