SCHEMBL6898209

SCHEMBL6898209

NCC(CN)Cc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
GFER P55789 1/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.35
SOAT1 P35610 1/20 0.35
TP53 P04637 1/20 0.35
SLC6A4 P31645 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RECQL P46063 1/20 0.34
FDPS P14324 1/20 0.33

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
SCHEMBL18789242 0.87 ALDH1A1 (0.55) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL763137 0.80 CACNA2D1 (0.43) LOXL2CYP3A4TDP1TSHRMEN1
SCHEMBL8526226 0.78 LOXL2 (0.50) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL8381197 0.78 ALDH1A1 (0.46) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL19934042 0.78 TSHR (0.46) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL6563096 0.77 EPHX1 (0.56) LOXL2MAOASLC6A4
SCHEMBL1912772 0.76 LOXL2 (0.48) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL19934200 0.75 TDP1 (0.42) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL1048212 0.74 ALDH1A1 (0.52) LOXL2ALDH1A1CYP3A4TDP1GFER
SCHEMBL6449520 0.73 SLC6A4 (0.60) MAOBSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 WO disclosed
EP-0699079-B1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES COMPRISING GENETIC MATERIALS DOW CHEMICAL CO (US) 2004-09-29 EP disclosed
US-5714166-A Bioactive and/or targeted dendrimer conjugates THE DOW CHEMICAL COMPANY (US) 1998-02-03 US disclosed
EP-0271180-B2 Starburst conjugates DOW CHEMICAL CO (US) 1997-06-18 EP disclosed
US-5527524-A AGRICULTURAL, PHARMACEUTICAL, DRUG DELIVERY THE DOW CHEMICAL COMPANY (US) 1996-06-18 US disclosed
EP-0699079-A1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES THE DOW CHEMICAL COMPANY (US) 1996-03-06 EP disclosed
WO-1995024221-A1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES THE DOW CHEMICAL COMPANY (US) 1995-09-14 WO disclosed
US-5338532-A Star polymer as carrier for drugs, agricultural compounds THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
EP-0271180-A1 Starburst conjugates THE DOW CHEMICAL COMPANY (US) 1988-06-15 EP disclosed
WO-1988001178-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed
WO-1988001179-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed
WO-1988001180-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 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 (5 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 LOXL2 4139/4885ALDH1A1 2862/4885CYP3A4 4194/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 LOXL2 4139/4885ALDH1A1 2862/4885CYP3A4 4194/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 LOXL2 4139/4885ALDH1A1 2862/4885CYP3A4 4194/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 LOXL2 4139/4885ALDH1A1 2862/4885CYP3A4 4194/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 LOXL2 4139/4885ALDH1A1 2862/4885CYP3A4 4194/4885

“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.