SCHEMBL5566673

SCHEMBL5566673

CN(C)CCNC(=O)Nc1cccc(NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
EPHX1 P07099 4/20 0.46
EPHX2 P34913 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL17190124 0.83 EPHX1 (0.64) EPHX1EPHX2HTTALDH1A1
SCHEMBL17190122 0.78 RAB9A (0.72) SMN1; SMN2NPC1RAB9APKMALOX15
SCHEMBL10891352 0.76 PKM (0.56) SMN1; SMN2NPC1RAB9APKMALOX15
SCHEMBL10892796 0.76 RAB9A (0.59) SMN1; SMN2NPC1RAB9APKMALOX15
SCHEMBL5779764 0.76 KMT2A (0.52) NPC1RAB9AEPHX1MEN1KMT2A
SCHEMBL5565031 0.76 CNR1 (0.55) SMN1; SMN2NPC1RAB9AALOX15EPHX1
SCHEMBL6719494 0.75 MAPT (0.50) SMN1; SMN2NPC1RAB9AEPHX1MEN1
SCHEMBL15601909 0.75 MAPT (0.53) SMN1; SMN2NPC1RAB9AALOX15EPHX1
SCHEMBL2597849 0.74 HTT (0.64) SMN1; SMN2EPHX1EPHX2MEN1KMT2A
SCHEMBL6719504 0.74 MAPT (0.49) EPHX1EPHX2MEN1KMT2AMAPT

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 SMN1; SMN2 4115/4885NPC1 2665/4885RAB9A 4054/4885
US-20020100127-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 SMN1; SMN2 4874/4885NPC1 4510/4885RAB9A 4190/4885

“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.