SCHEMBL3399070

SCHEMBL3399070

C[n+]1ccn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 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
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FDPS P14324 2/20 0.33
LMNA P02545 1/20 0.30

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
Iodide SCHEMBL2993215 0.98 MEN1 (0.41) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL25362418 0.95 MEN1 (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL13255991 0.93 SMN1; SMN2 (0.45) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1219462 0.91 MEN1 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1219035 0.91 MEN1 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15324343 0.91 MEN1 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1219710 0.91 MEN1 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15323525 0.88 MEN1 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1217990 0.88 MEN1 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1219357 0.86 MEN1 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079534-A1 METHOD, CELL, AND ELECTROLYTE FOR DINITROGEN CONVERSION MONASH UNIVERSITY (AU) 2021-03-18 US claimed
EP-3431528-B1 METHODS AND COMPOSITIONS FOR CURING A SURFACE OF AN UNCURED POLYSULFIDE RUBBER BOEING CO (US) 2020-09-02 EP claimed
EP-3658505-A1 METHOD, CELL AND ELECTROLYTE FOR DINITROGEN CONVERSION Monash University (AU) 2020-06-03 EP claimed
CN-110869319-A Method for dinitrogen conversion, battery and electrolyte 莫纳什大学 2020-03-06 CN claimed
EP-1954680-B1 IONIC LIQUIDS DU PONT (US) 2012-05-23 EP claimed
EP-1940914-B1 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF DU PONT (US) 2009-05-13 EP claimed
JP-2009511434-A 2009-03-19 JP claimed
EP-1954658-A1 ALKYLATION OF AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-13 EP claimed
EP-1954680-A1 IONIC LIQUIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-13 EP claimed
EP-1940914-A2 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF E.I.Du pont de nemours and company (US) 2008-07-09 EP claimed
WO-2007038360-A2 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-05 WO claimed
EP-1742663-A2 COMPOSITIONS CAPABLE OF FACILITATING PENETRATION ACROSS A BIOLOGICAL BARRIER Chiasma, Ltd. (IL) 2007-01-17 EP claimed
US-20060251713-A1 Amino acid sequences capable of facilitating penetration across a biological barrier CHIASMA, INC. (US) 2006-11-09 US claimed
WO-2006097793-A2 COMPOSITIONS CAPABLE OF FACILITATING PENETRATION ACROSS A BIOLOGICAL BARRIER CHIASMA, LTD. (IL) 2006-09-21 WO claimed
EP-1670500-A2 COMPOSITIONS CAPABLE OF FACILITATING PENETRATION ACROSS A BIOLOGICAL BARRIER Chiasma, Ltd. (IL) 2006-06-21 EP claimed
US-20050232981-A1 Compositions capable of facilitating penetration across a biological barrier CHIASMA, INC. 2005-10-20 US claimed
WO-2005094785-A2 COMPOSITIONS CAPABLE OF FACILITATING PENETRATION ACROSS A BIOLOGICAL BARRIER CHIASMA, LTD. (IL) 2005-10-13 WO claimed
US-20050136103-A1 Transepithelial delivery of effectorsequentially coupled with a counter ion to the at least one effector and at least one pharmaceutically acceptable hydrophobic agent; translocation, encapsulation CHIASMA, INC. 2005-06-23 US claimed
US-20050058702-A1 Compositions capable of facilitating penetration across a biological barrier CHIASMA, INC. 2005-03-17 US claimed
US-20040146549-A1 Amino acid sequences capable of facilitating penetration across a biological barrier CHIASMA, INC. 2004-07-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060251713-A1 Amino acid sequences capable of facilitating penetration across a biological barrier SLC7A1, SLC1A5, SLC3A2 SMN1; SMN2 1270/4885MEN1 2096/4885APAF1 787/4885
US-20050136103-A1 Transepithelial delivery of effectorsequentially coupled with a counter ion to the at least one effector and at least one pharmaceutically acceptable hydrophobic agent; translocation, encapsulation CFTR, SLC47A1, SLC47A2 SMN1; SMN2 1654/4885MEN1 1463/4885APAF1 1149/4885
US-20050232981-A1 Compositions capable of facilitating penetration across a biological barrier MMP8, PGF, AQP1 SMN1; SMN2 1565/4885MEN1 2141/4885APAF1 481/4885
US-20040146549-A1 Amino acid sequences capable of facilitating penetration across a biological barrier SLC7A1, SLC1A5, SLC3A2 SMN1; SMN2 1270/4885MEN1 2096/4885APAF1 787/4885

“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.