SCHEMBL416941

SCHEMBL416941

NCCCCN(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.64
PAX8 Q06710 1/20 0.64
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TGM2 P21980 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
ANPEP P15144 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
FOLH1 Q04609 2/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL9501043 0.99 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2075425 0.98 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL411758 0.98 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415520 0.98 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076254 0.96 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076561 0.95 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL417675 0.95 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL4704081 0.94 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL3760231 0.92 CCR6 (0.57) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL17872132 0.91 HTT (0.58) CCR6PAX8HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
US-8664409-B2 Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-03-04 US disclosed
US-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-01-26 US disclosed
EP-0105193-B1 SPERGUALIN-RELATED COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-08-24 EP disclosed
EP-0117501-B1 A PROCESS FOR THE PREPARATION OF 1,5-DIPROTECTED-1,5,10-TRIAZADECANE, INTERMEDIATES THEREOF AND THEIR PREPARATION MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-04-06 EP disclosed
US-4529549-A Compound containing guanidine and amino groups ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-07-16 US disclosed
EP-0117501-A1 A process for the preparation of 1,5-diprotected-1,5,10-triazadecane, intermediates thereof and their preparation MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-09-05 EP disclosed
EP-0105193-A2 Spergualin-related compounds, processes for the preparation thereof and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-04-11 EP 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 (3 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM CCR6 142/4885PAX8 4088/4885HTT 1559/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM CCR6 142/4885PAX8 4088/4885HTT 1559/4885
US-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PTMA, NPEPPS, DNPEP CCR6 3824/4885PAX8 2180/4885HTT 2168/4885

“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.