SCHEMBL5334337

SCHEMBL5334337

O=[N+]([O-])c1ccc(CN2CCNCCNCCNCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.70
KCNH2 Q12809 1/20 0.70
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CXCR4 P61073 4/20 0.58
MEN1 O00255 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2C P18825 1/20 0.58
CCR2 P41597 1/20 0.58
CXCL12 P48061 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
ADRB1 P08588 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57

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
SCHEMBL626660 0.98 KCNJ1 (0.72) KCNJ1KCNH2KDM4EALDH1A1LMNA
Bromide SCHEMBL9067030 0.97 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4478110 0.97 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6289818 0.97 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL7752079 0.93 CXCR4 (0.72) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL9621043 0.92 CXCR4 (0.67) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL17805273 0.91 KCNJ1 (0.68) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL4021524 0.88 CXCR4 (0.65) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL9015442 0.84 KCNJ1 (0.97) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL8554661 0.84 KCNJ1 (0.97) KCNJ1KCNH2KDM4EALDH1A1MAPT

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-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 US disclosed
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 US disclosed
US-7312327-B2 Method of preparing nitrogen macrocycles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-12-25 US disclosed
US-20040206940-A1 Novel method of preparing nitrogen macrocycles COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2004-10-21 US disclosed
EP-1430036-A1 NOVEL METHOD OF PREPARING NITROGEN MACROCYCLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-06-23 EP disclosed
WO-2003029228-A1 NOVEL METHOD OF PREPARING NITROGEN MACROCYCLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2003-04-10 WO disclosed
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US disclosed
EP-0374929-B1 Process for preparing mono-N-alkylated polyazamacrocycles DOW CHEMICAL CO (US) 1998-03-25 EP disclosed
US-5652361-A ANTITUMOR THE DOW CHEMICAL COMPANY (US) 1997-07-29 US disclosed
EP-0296522-B1 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation DOW CHEMICAL CO (US) 1996-09-25 EP disclosed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP disclosed
US-5284644-A Anticancer agent; therapy and diagnosis DOW CHEMICAL COMPANY, THE 1994-02-08 US disclosed
US-5064956-A Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1991-11-12 US disclosed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
US-4994560-A Radiotherapy, diagnosis THE DOW CHEMICAL COMPANY (US) 1991-02-19 US disclosed
WO-1990007261-A2 PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO disclosed
EP-0374929-A1 Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1990-06-27 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
EP-0296522-A2 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation THE DOW CHEMICAL COMPANY (US) 1988-12-28 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 (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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 KCNJ1 3504/4885KCNH2 2087/4885KDM4E 1610/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 KCNJ1 3504/4885KCNH2 2087/4885KDM4E 1610/4885

“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.