SCHEMBL5565031

SCHEMBL5565031

CN(C)CCNC(=O)Nc1cccc(N(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPT P10636 4/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6152067 0.88 CNR1 (0.52) CNR1MEN1KMT2AHTTALDH1A1
SCHEMBL10781905 0.87 MAPT (0.67) CNR1MEN1KMT2AHTTALDH1A1
SCHEMBL10780462 0.84 EPHX1 (0.61) CNR1HTTPOLBALDH1A1MAPT
SCHEMBL5565491 0.84 MEN1 (0.46) CNR1MEN1KMT2AHTTPOLB
SCHEMBL5561275 0.83 CNR1 (0.53) CNR1MEN1KMT2AALDH1A1GAA
SCHEMBL5779764 0.83 KMT2A (0.52) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL15601909 0.82 MAPT (0.53) MEN1KMT2AHTTPOLBGAA
SCHEMBL2597849 0.82 HTT (0.64) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL6719494 0.80 MAPT (0.50) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL6719504 0.79 MAPT (0.49) MEN1KMT2AHTTPOLBMAPT

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-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-20060162095-A1 Method of colouring porous material CIBA SPECIALTY CHEMICALS CORP. 2006-07-27 US disclosed
EP-1534226-A1 METHOD OF COLOURING POROUS MATERIAL Ciba SC Holding AG (CH) 2005-06-01 EP disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
US-6673966-B2 FOR USE IN HAIR COLORING FORMULATIONS THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
US-20020100127-A1 Novel coupler for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-08-01 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-20060162095-A1 Method of colouring porous material ACR, HLA-C, TYR CNR1 3978/4885MEN1 615/4885KMT2A 3603/4885
US-20020100127-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 CNR1 328/4885MEN1 4000/4885KMT2A 2855/4885

“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.