SCHEMBL7573306

SCHEMBL7573306

c1ccc(CN2CCNCCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.96
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66
CXCR4 P61073 7/20 0.62
MC4R P32245 1/20 0.62
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
ADRA2C P18825 1/20 0.61
CCR2 P41597 1/20 0.61
CXCL12 P48061 1/20 0.61
BLM P54132 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
DRD4 P21917 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL8145866 1.00 SIGMAR1 (0.96) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL9538814 0.98 SIGMAR1 (0.92) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL276363 0.98 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL152631 0.98 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL83548 0.98 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL6138636 0.98 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
Benzene SCHEMBL27761330 0.98 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL2223234 0.96 SIGMAR1 (0.96) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL7062479 0.96 SIGMAR1 (0.96) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL10063607 0.96 SIGMAR1 (0.96) SIGMAR1MEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177598-B1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INST NAT SANTE RECH MED (FR) 2019-08-28 EP disclosed
US-10351539-B2 Macrocyclic complexes, their process of preparation and use as PET imaging agents INSERM (Institut National de la Santé et de le Recherche Médicale) (FR) 2019-07-16 US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
WO-2016016272-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-02-04 WO disclosed
EP-0815091-B1 POLYAZACYCLOALKANE COMPOUNDS NYCOMED IMAGING AS (NO) 2002-06-12 EP disclosed
US-5705637-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1998-01-06 US disclosed
US-5677446-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5631368-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1997-05-20 US disclosed
WO-1996028433-A1 POLYAZACYCLOALKANE COMPOUNDS NYCOMED IMAGING A.S (NO) 1996-09-19 WO disclosed
EP-0255471-A1 1,4,7,10-Tetraazacyclododecane-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-03 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-10351539-B2 Macrocyclic complexes, their process of preparation and use as PET imaging agents MPI, PAICS, TFEB SIGMAR1 2616/4885MEN1 5/4885KMT2A 4024/4885
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS MPI, PAICS, TFEB SIGMAR1 2616/4885MEN1 5/4885KMT2A 4024/4885

“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.