SCHEMBL10317072

SCHEMBL10317072

O=C(CN1CCCNCCN(CC(=O)OCc2ccccc2)CCCNCC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EGFR P00533 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CXCR4 P61073 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2C P18825 1/20 0.43
CCR2 P41597 1/20 0.43
CXCL12 P48061 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL12018108 0.95 SIGMAR1 (0.56) ALDH1A1SMN1; SMN2EGFRSIGMAR1CXCR4
SCHEMBL6601404 0.94 EGFR (0.54) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
SCHEMBL25421283 0.93 EGFR (0.53) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
SCHEMBL5059161 0.93 EGFR (0.53) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
SCHEMBL3422030 0.93 EGFR (0.53) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
Hydrochloric Acid SCHEMBL21814218 0.93 EGFR (0.56) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
SCHEMBL12018101 0.93 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2EGFRSIGMAR1MEN1
Bromide SCHEMBL14247934 0.92 EGFR (0.52) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
Bromide SCHEMBL28444822 0.92 EGFR (0.52) ALDH1A1SMN1; SMN2EGFRSIGMAR1MAPK1
SCHEMBL16837406 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2EGFRSIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476683-B1 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2019-04-03 EP disclosed
EP-2476683-B1 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2019-04-03 EP disclosed
EP-2537834-B1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2018-09-05 EP disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 US disclosed
US-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 US disclosed
US-9079867-B2 Polyazamacrocyclic compound, and a production method and a biomedical use therefor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-14 US disclosed
US-9079867-B2 Polyazamacrocyclic compound, and a production method and a biomedical use therefor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-14 US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 US disclosed
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-01-03 US disclosed
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-01-03 US disclosed
EP-2537834-A2 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-12-26 EP disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 US disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 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 (3 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-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ALDH1A1 3814/4885SMN1; SMN2 3670/4885EGFR 1288/4885
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR SLC39A11, VIP, PBDC1 ALDH1A1 4081/4885SMN1; SMN2 4323/4885EGFR 1609/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ALDH1A1 3814/4885SMN1; SMN2 3670/4885EGFR 1288/4885

“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.