SCHEMBL6152987

SCHEMBL6152987

NCCCCC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
EYA2 O00167 1/20 0.44
APP P05067 1/20 0.44
ACE P12821 1/20 0.44
BLM P54132 4/20 0.42
LMNA P02545 3/20 0.42
PMP22 Q01453 2/20 0.42
ALOX15 P16050 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL12673457 0.83 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL19067310 0.83 TDP1 (0.45) TDP1EYA2APPACEBLM
SCHEMBL6152638 0.81 TDP1 (0.40) TDP1EYA2APPACEBLM
SCHEMBL9626421 0.80 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL21096057 0.79 TDP1 (0.48) TDP1EYA2APPACEBLM
SCHEMBL20000671 0.79 TDP1 (0.48) TDP1EYA2APPACEBLM
SCHEMBL12296559 0.78 GSR (0.42) BLMLMNAALOX15SLC6A2SLC6A3
SCHEMBL15834505 0.78 TDP1 (0.44) TDP1EYA2APPACEBLM
SCHEMBL21320313 0.78 TDP1 (0.44) TDP1EYA2APPACEBLM
SCHEMBL12650723 0.78 TDP1 (0.44) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948361-B1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT INC (US) 2005-01-26 EP claimed
EP-0948361-A4 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL INC (US) 2001-02-07 EP claimed
EP-0948361-A1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL, INC. (US) 1999-10-13 EP claimed
US-5961953-A CONTAINING BICYCLO(2.2.2)OCTANE, ADAMANTANE, OR DICYCLOHEXYLACETYL GROUPS AND CHELATING GROUPS MALLINCKRODT INC. (US) 1999-10-05 US claimed
US-5888476-A ADMINISTERING A GADOLINIUM COMPLEX AS A CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING WHICH INCREASE RELAXIVITY OF WATER PROTONS SURROUNDING THE TISSUE MALLINCKRODT MEDICAL, INC. (US) 1999-03-30 US claimed
WO-1998020908-A1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL, INC. (US) 1998-05-22 WO claimed
WO-2021202830-A2 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
WO-2020205948-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2019195384-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
US-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 US disclosed
US-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 US disclosed
US-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING SHEN BAOZHONG (CN) 2015-07-23 US disclosed
US-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING SHEN BAOZHONG (CN) 2015-07-23 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 (1 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-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING GJB2, GJA1, GAP43 TDP1 2268/4885EYA2 3986/4885APP 1242/4885

“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.