SCHEMBL45768

SCHEMBL45768

N=C(N)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ALOX12 P18054 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54

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
Fluoride SCHEMBL27718975 0.98 CA12 (0.55) CA12CA1CA2CA9ALOX12
Iodide SCHEMBL28867266 0.98 CA12 (0.55) CA12CA1CA2CA9ALOX12
Hydrochloric Acid SCHEMBL3065003 0.98 CA12 (0.55) CA12CA1CA2CA9ALOX12
Bicarbonate SCHEMBL27358699 0.94 CYP2D6 (0.56) CA12CA1CA2CA9ALOX12
Acetic Acid SCHEMBL28068598 0.90 CYP2C9 (0.53) CA12CA1CA2CA9ALDH1A1
Sulfuric Acid SCHEMBL11336623 0.90 GAA (0.49) CA12CA1CA2CA9ALOX12
Sulfuric Acid SCHEMBL4014385 0.90 GAA (0.49) CA12CA1CA2CA9ALOX12
SCHEMBL3672272 0.88 CYP2C9 (0.48) CA12CA1CA2CA9ALOX12
SCHEMBL17198935 0.88 ALDH1A1 (0.54) CA12CA1CA2CA9ALOX12
SCHEMBL21947973 0.87 TSHR (0.52) CA12CA1CA2CA9ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731195-A1 ANTAGONISTS OF THE IMIDAZOLINE-1 RECEPTOR FOR USE IN THE PREVENTION AND/OR TREATMENT OF AN AUTOINFLAMMATORY OR AUTOIMMUNE DISEASE Centro Nacional de Investigaciones Cardiovasculares Carlos III (F.S.P.) (ES) 2026-04-29 EP claimed
WO-2025101904-A1 NOREPINEPHRINE TRANSPORTER-TARGETED PRODRUGS FOR CANCER THERAPY THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2025-05-15 WO claimed
CN-119950749-A Polymer-based macromolecular prodrugs 费城儿童医院 2025-05-09 CN claimed
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 US claimed
WO-2025002914-A1 ANTAGONISTS OF THE IMIDAZOLINE-1 RECEPTOR FOR USE IN THE PREVENTION AND/OR TREATMENT OF AN AUTOINFLAMMATORY OR AUTOIMMUNE DISEASE CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) 2025-01-02 WO claimed
CN-113557037-B Radiopharmaceuticals for diagnostic/therapeutic use in nuclear medicine and radioguided medicine 罗马大学 2024-08-09 CN claimed
EP-3773540-B1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC (US) 2024-07-03 EP claimed
EP-4351650-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NanoPharmaceuticals LLC (US) 2024-04-17 EP claimed
CN-117412772-A Compositions and methods for dual targeted treatment of neuroendocrine tumors 纳米药业有限责任公司 2024-01-16 CN claimed
CN-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN claimed
EP-1185316-A1 DEVICES AND COMPOUNDS FOR TREATING ARTERIAL RESTENOSIS Cardio Vascular Solutions Inc. (CA) 2002-03-13 EP claimed
WO-2002014270-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-02-21 WO claimed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO claimed
EP-1085859-A1 WOUND TREATMENT THROUGH INHIBITION OF ADENOSINE DIPHOSPHATE RIBOSYL TRANSFERASE UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2001-03-28 EP claimed
WO-2000074742-A1 DEVICES AND COMPOUNDS FOR TREATING ARTERIAL RESTENOSIS CARDIO VASCULAR SOLUTIONS INC. (CA) 2000-12-14 WO claimed
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO claimed
WO-1999063982-A1 WOUND TREATMENT THROUGH INHIBITION OF ADENOSINE DIPHOSPHATE RIBOSYL TRANSFERASE UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1999-12-16 WO claimed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN claimed
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP claimed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP claimed

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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO CA12 165/4885CA1 425/4885CA2 256/4885

“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.