SCHEMBL2475256

SCHEMBL2475256

NCCCC[C@@H](C(=O)O)N(c1ccccn1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
EPOR P19235 2/20 0.39
TSHR P16473 1/20 0.39
HRH1 P35367 2/20 0.39
F2 P00734 1/20 0.39
EPHX2 P34913 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
POLB P06746 1/20 0.37
PTPRA P18433 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GSR P00390 1/20 0.37
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL2475253 1.00 CTSK (0.39) CTSKEPORTSHRHRH1F2
SCHEMBL28420962 0.81 EPOR (0.37) CTSKEPORF2POLBPPARG
SCHEMBL4888010 0.81 F2 (0.36) CTSKEPORF2EPHX2PPARG
SCHEMBL24872839 0.78 IDE (0.55) CTSKEPORHRH1PTPRAL3MBTL1
SCHEMBL4301333 0.78 IDE (0.55) CTSKEPORHRH1PTPRAL3MBTL1
SCHEMBL8153442 0.78 GSK3B (0.50) CTSKHRH1EPHX2MMP2MMP9
SCHEMBL17025155 0.73 POLB (0.39) TSHRPOLBPTPRAPPARGPPARA
Lysine SCHEMBL28145765 0.72 GSR (0.56) CTSKEPHX2MMP2POLBGSR
SCHEMBL9716623 0.71 F2 (0.50) EPORHRH1F2MMP2MMP9
SCHEMBL7321837 0.71 F2 (0.50) EPORHRH1F2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US claimed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP claimed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 WO claimed
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
US-8962799-B2 Technetium—and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-8840865-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-09-23 US disclosed
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
EP-2373621-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010065899-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
EP-2097112-A2 METHODS OF IMAGING EMPLOYING CHELATING AGENTS Barnes-Jewish Hospital (US) 2009-09-09 EP disclosed
US-20080241061-A1 METHODS OF IMAGING EMPLOYING CHELATING AGENTS KEREOS, INC. 2008-10-02 US disclosed
US-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US disclosed
WO-2008070464-A2 METHODS OF IMAGING EMPLOYING CHELATING AGENTS BARNES-JEWISH HOSPITAL (US) 2008-06-12 WO disclosed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP disclosed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 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-20080241061-A1 METHODS OF IMAGING EMPLOYING CHELATING AGENTS PHOSPHO1, SGMS1, SGMS2 CTSK 1393/4885EPOR 680/4885TSHR 2438/4885
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CTSK 737/4885EPOR 1747/4885TSHR 46/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CTSK 417/4885EPOR 325/4885TSHR 12/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CTSK 737/4885EPOR 1747/4885TSHR 46/4885
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CTSK 417/4885EPOR 325/4885TSHR 12/4885

“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.