SCHEMBL2834585

SCHEMBL2834585

CC(C)(C)OC(=O)Cn1ccnc1CN(CCCCC(NC(=O)NC(CCC(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.39
FPR2 P25090 5/20 0.38
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
DGAT1 O75907 1/20 0.34
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2834575 1.00 FOLH1 (0.39) FOLH1FPR2TDP1MEN1KMT2A
SCHEMBL2835915 0.90 FOLH1 (0.36) FOLH1FPR2TDP1MEN1KMT2A
SCHEMBL15834896 0.87 TDP1 (0.37) FPR2TDP1MEN1KMT2AATM
SCHEMBL1740688 0.86 TDP1 (0.37) FPR2TDP1MEN1KMT2AATM
SCHEMBL17685192 0.86 TDP1 (0.37) FPR2TDP1MEN1KMT2AATM
SCHEMBL13287689 0.86 FPR2 (0.34) FPR2TDP1
SCHEMBL17997543 0.86 FOLH1 (0.39) FOLH1
SCHEMBL2830839 0.85 FOLH1 (0.41) FOLH1TDP1MEN1KMT2ANPSR1
SCHEMBL15501039 0.84 FPR2 (0.32) FOLH1FPR2TDP1MEN1KMT2A
SCHEMBL2495998 0.84 FOLH1 (0.38) FOLH1FPR2TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2759535-A1 CA-IX specific radiopharmaceuticals for the treatment and imaging of cancer Molecular Insight Pharmaceuticals, Inc. (US) 2014-07-30 EP 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
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-8211402-B2 CA-IX specific radiopharmaceuticals for the treatment and imaging of cancer MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20100178247-A1 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-15 US 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 (4 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-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 FOLH1 283/4885FPR2 1849/4885TDP1 2624/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 FOLH1 216/4885FPR2 1076/4885TDP1 3374/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 FOLH1 283/4885FPR2 1849/4885TDP1 2624/4885
US-20100178247-A1 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER CA9, CA13, CA14 FOLH1 113/4885FPR2 3982/4885TDP1 4153/4885

“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.