SCHEMBL2770429

SCHEMBL2770429

NN(N)C(CC(=O)O)(CC(=O)O)C(CC(=O)O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
Edetic Acid SCHEMBL749833 0.88 TDP1 (0.47) TDP1TSHRCYP2C19LMNAKDM4E
SCHEMBL9372723 0.69 TDP1 (0.46) TDP1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL10520915 0.67 TDP1 (0.43) TDP1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9474321 0.67 TDP1 (0.43) TDP1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6230622 0.65 TDP1 (0.37) TDP1CYP2D6TSHRCYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL11416138 0.65 LMNA (0.43) TDP1CYP2D6TSHRCYP2C19GABRR1
SCHEMBL9618693 0.65 TDP1 (0.37) TDP1CYP2D6TSHRCYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL10537977 0.64 TDP1 (0.41) TDP1GABRR1SLC22A6LMNAKDM4E
SCHEMBL10902910 0.64 TDP1 (0.40) TDP1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL13469352 0.62 TDP1 (0.39) TDP1CYP2D6TSHRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196412-B2 Probe for imaging PARP-1 activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US claimed
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-30 US claimed
EP-1420831-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS Targesome, Inc. (US) 2004-05-26 EP claimed
US-20030082103-A1 Targeted therapeutic lipid constructs having cell surface targets TARGESOME, INC. 2003-05-01 US claimed
WO-2003028643-A2 TARGETED THERAPEUTIC LIPID CONSTRUCTS HAVING CELL SURFACE TARGETS TARGESOME, INC. (US) 2003-04-10 WO claimed
WO-2003011345-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS TARGESOME, INC. (US) 2003-02-13 WO claimed
US-10196412-B2 Probe for imaging PARP-1 activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US disclosed
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-30 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-20100278846-A1 NASAL-ADMINISTERED VACCINES USING MULTI-SCREENED NALT-TARGETING AND PHAGOCYTIC POLYPEPTIDE TRANSPORT SEQUENCES FERGUSON IAN A 2010-11-04 US disclosed
EP-1420831-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS Targesome, Inc. (US) 2004-05-26 EP disclosed
US-20040067196-A1 Targeted therapeutic lipid constructs TARGESOME INC 2004-04-08 US disclosed
US-20030082103-A1 Targeted therapeutic lipid constructs having cell surface targets TARGESOME, INC. 2003-05-01 US disclosed
WO-2003028643-A2 TARGETED THERAPEUTIC LIPID CONSTRUCTS HAVING CELL SURFACE TARGETS TARGESOME, INC. (US) 2003-04-10 WO disclosed
WO-2003011345-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS TARGESOME, INC. (US) 2003-02-13 WO disclosed
US-4920061-A SPHERICAL PARAMAGNETIC COBALT PARTICLES HAVING AFFINITY LIGANDS ADSORBED ON SURFACES THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-04-24 US disclosed
US-4164477-A ACIDS, SULFONATES, POLYESTERS OR ETHYLENE OXIDE ADDUCTS, OXY AMINES OR OXY AMIDES, ALKYD RESINS Chem-X3, Inc. (US) 1979-08-14 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 (2 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-10196412-B2 Probe for imaging PARP-1 activity PARP1, PARP2, PARP12 TDP1 117/4885CYP2D6 1519/4885TSHR 2609/4885
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY PARP1, PARP2, PARP12 TDP1 117/4885CYP2D6 1519/4885TSHR 2609/4885

“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.