SCHEMBL514488

SCHEMBL514488

NCC(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
IDO1 P14902 4/20 0.50
DPP4 P27487 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MC4R P32245 1/20 0.42
CYP1A2 P05177 2/20 0.42
KCNJ1 P48048 2/20 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
SCHEMBL5148823 1.00 LOXL2 (0.60) LOXL2IDO1DPP4DPP7TSHR
Hydrochloric Acid SCHEMBL9355954 0.98 LOXL2 (0.58) LOXL2IDO1DPP4DPP7TSHR
Acetic Acid SCHEMBL9334210 0.91 LOXL2 (0.50) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL10904353 0.88 LOXL2 (0.47) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL10904351 0.88 LOXL2 (0.47) LOXL2IDO1DPP4DPP7TSHR
Hydrochloric Acid SCHEMBL10902175 0.87 DPP4 (0.46) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL1176909 0.85 TSHR (0.56) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL334475 0.85 TSHR (0.56) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL8186292 0.85 TSHR (0.56) LOXL2IDO1DPP4DPP7TSHR
SCHEMBL15994105 0.84 EPHX1 (0.61) LOXL2IDO1DPP4DPP7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
CN-116577508-A Monoclonal antibody Ab614 fluorescent complex and application thereof 江苏博华医药科技有限公司 2023-08-11 CN disclosed
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
CN-114409578-B Preparation method of multi-aptamer molecule 安源基因科技(上海)有限公司 2022-10-14 CN disclosed
CN-114441749-B Application of novel multi-element aptamer molecules in magnetic bead immunochemiluminescence AFP 安源基因科技(上海)有限公司 2022-09-30 CN disclosed
CN-114441749-A Application of novel multi-element aptamer molecule in magnetic bead immunochemistry luminous AFP 安源基因科技(上海)有限公司 2022-05-06 CN disclosed
CN-114409578-A Preparation method of novel multi-aptamer molecule 安源基因科技(上海)有限公司 2022-04-29 CN disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
US-9849196-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2017-12-26 US disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
US-5318772-A Polyaminemethylenephosphonic acids of diethylenediamine, norbornanediamne, 1,4,7,10-tetraazacyclododecane, 3,6,9,15-tetraazabicyclo(9.3.1)pentadecatriene or 1,4,7-triazanonane and a suitable vehicle THE DOW CHEMICAL COMPANY (US) 1994-06-07 US disclosed
EP-0344724-B1 METAL RADIONUCLIDE CHELATING COMPOUNDS FOR IMPROVED CHELATION KINETICS NEORX CORPORATION (US) 1993-08-11 EP disclosed
WO-1993011741-A1 ORAL COMPOSITIONS FOR INHIBITING PLAQUE AND CALCULUS FORMATION THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed
US-5075099-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-12-24 US disclosed
US-5006643-A Reacting aminofunctional chelates with thiophosgene THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
US-4988496-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-01-29 US disclosed
WO-1990007342-A1 PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO disclosed
EP-0374947-A1 Process for preparing isothiocyanato functionalized metal complexes THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP disclosed
US-4923985-A Process for synthesizing macrocyclic chelates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1990-05-08 US disclosed
EP-0344724-A2 Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1989-12-06 EP 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-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 LOXL2 4405/4885IDO1 2537/4885DPP4 1446/4885

“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.