SCHEMBL15834896

SCHEMBL15834896

C[C@@H](CCCCN(Cc1nccn1CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
ATM Q13315 2/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 6/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
FPR2 P25090 5/20 0.35
POLB P06746 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL16093135 0.95 TDP1 (0.34) TDP1ATMMAPTNPSR1MEN1
SCHEMBL17685192 0.92 TDP1 (0.37) TDP1ATMMAPTNPSR1MEN1
SCHEMBL1740688 0.92 TDP1 (0.37) TDP1ATMMAPTNPSR1MEN1
SCHEMBL2495998 0.87 FOLH1 (0.38) TDP1ATMMAPTNPSR1MEN1
SCHEMBL2834585 0.87 FOLH1 (0.39) TDP1ATMMAPTNPSR1MEN1
SCHEMBL2834575 0.87 FOLH1 (0.39) TDP1ATMMAPTNPSR1MEN1
SCHEMBL2830839 0.87 FOLH1 (0.41) TDP1NPSR1MEN1KMT2APOLB
SCHEMBL2835915 0.86 FOLH1 (0.36) TDP1MEN1KMT2AFPR2
SCHEMBL1742288 0.85 TDP1 (0.34) TDP1ATMMAPTNPSR1MEN1
SCHEMBL2541062 0.84 TLR2 (0.39) NPSR1MEN1KMT2AALDH1A1

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 5 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
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-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 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 (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-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 TDP1 2624/4885ATM 3315/4885MAPT 1854/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 TDP1 3374/4885ATM 2865/4885MAPT 3995/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 TDP1 2624/4885ATM 3315/4885MAPT 1854/4885

“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.