SCHEMBL8655258

SCHEMBL8655258

Nc1ccc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 4/20 0.58
SIGMAR1 Q99720 2/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A9 P48067 1/20 0.45

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
SCHEMBL18872669 1.00 LMNA (0.59) LMNAALDH1A1SIGMAR1CYP3A4CYP2D6
SCHEMBL16656260 1.00 LMNA (0.59) LMNAALDH1A1SIGMAR1CYP3A4CYP2D6
SCHEMBL3897416 0.93 ALDH1A1 (0.64) LMNAALDH1A1SIGMAR1HDAC1HRH3
SCHEMBL14478352 0.91 SIGMAR1 (0.53) LMNAALDH1A1SIGMAR1HDAC1HRH3
Tetraxetan SCHEMBL861961 0.89 SLC6A9 (0.49) LMNAALDH1A1SIGMAR1MAPTSLC6A9
SCHEMBL14049579 0.87 SIGMAR1 (0.52) LMNAALDH1A1SIGMAR1
SCHEMBL14478353 0.85 CXCR4 (0.57) LMNAALDH1A1SIGMAR1HRH3
SCHEMBL9610969 0.84 ALDH1A1 (0.54) ALDH1A1SIGMAR1CYP3A4CYP2D6MAPT
SCHEMBL8510915 0.84 ITGB3 (0.56) LMNAALDH1A1SIGMAR1CYP3A4CYP2D6
SCHEMBL7556163 0.84 SIGMAR1 (0.65) ALDH1A1SIGMAR1DRD4SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2831073-B2 1998-12-02 JP claimed
EP-0292689-B1 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INT BV (NL) 1996-07-31 EP claimed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP claimed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP claimed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO claimed
EP-0292689-A2 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INTERNATIONAL B.V. (NL) 1988-11-30 EP claimed
US-11167050-B2 Metal complex forming compound, metal complex compound formed thereof, radioactive drug containing the metal complex compound, and method of using and preparing the metal complex compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2021-11-09 US disclosed
US-20200268913-A1 RADIOACTIVE DRUG NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2020-08-27 US disclosed
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US disclosed
US-5652361-A ANTITUMOR THE DOW CHEMICAL COMPANY (US) 1997-07-29 US disclosed
US-5435990-A Chelate-antibody complexes, treatment and diagnosis of cancer, tetraazacyclododecane compounds THE DOW CHEMICAL COMPANY (US) 1995-07-25 US disclosed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP disclosed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
EP-0353450-A1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates THE DOW CHEMICAL COMPANY (US) 1990-02-07 EP disclosed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 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 (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-11167050-B2 Metal complex forming compound, metal complex compound formed thereof, radioactive drug containing the metal complex compound, and method of using and preparing the metal complex compound SLC30A6, AP1M1, SLC39A11 LMNA 4134/4885ALDH1A1 2653/4885SIGMAR1 3243/4885
US-20200268913-A1 RADIOACTIVE DRUG TFRC, LUC7L2, MRPL19 LMNA 4363/4885ALDH1A1 1326/4885SIGMAR1 175/4885

“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.