SCHEMBL3048660

SCHEMBL3048660

O=[N+]([O-])c1ccc(CC2CNCCNCCNCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.47
KCNH2 Q12809 2/20 0.47
TBXA2R P21731 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ADRB1 P08588 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
IDO1 P14902 1/20 0.38
LTA4H P09960 1/20 0.38
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
GFER P55789 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL8140360 1.00 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL5864571 1.00 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL9756598 1.00 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL26091219 1.00 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL26091221 1.00 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
Hydrochloric Acid SCHEMBL5013957 0.99 KCNJ1 (0.46) KCNJ1KCNH2TBXA2RHRH3ADRB1
Hydrochloric Acid SCHEMBL5013954 0.99 KCNJ1 (0.46) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL2953111 0.93 KCNJ1 (0.44) KCNJ1KCNH2TBXA2RHRH3ADRB1
Acetic Acid SCHEMBL21489543 0.92 TBXA2R (0.42) KCNJ1KCNH2TBXA2RHRH3KMT2A
Hydrochloric Acid SCHEMBL6013527 0.90 KCNJ1 (0.41) KCNJ1KCNH2TBXA2RHRH3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190321495-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-10-24 US claimed
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US claimed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP claimed
US-20240139333-A1 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF FUSION PHARMACEUTICALS INC (CA) 2024-05-02 US disclosed
EP-4346787-A1 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2024-04-10 EP disclosed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed
WO-2023091689-A1 COMBINED USE OF MCR1-DIRECTED RADIOTHERAPY AND IMMUNE CHECKPOINT INHIBITION IN THE TREATMENT OF MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2023-05-25 WO disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-11576987-B2 Compositions and methods of treating melanoma UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
WO-2022251612-A1 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2022-12-01 WO disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 WO disclosed
WO-1995014493-A1 THREE-STEP PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-01 WO disclosed
EP-0628077-A1 HUMANISED ANTIBODIES DIRECTED AGAINST A33 ANTIGEN CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-14 EP disclosed
WO-1994013805-A1 HUMANISED ANTIBODIES DIRECTED AGAINST A33 ANTIGEN CELLTECH LIMITED (GB) 1994-06-23 WO disclosed
EP-0522007-A4 A FONCTIONALIZED COMPLEXAND US COMMERCE (US) 1993-06-16 EP disclosed
WO-1993002652-A2 MODIFIED HAPTENS USEFUL AS IMAGING AND THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1993-02-18 WO disclosed
EP-0522007-A1 A FONCTIONALIZED COMPLEXAND THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1993-01-13 EP disclosed
WO-1991014458-A1 A FONCTIONALIZED COMPLEXAND THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1991-10-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, CTH, CBS KCNJ1 1140/4885KCNH2 2631/4885TBXA2R 3568/4885
US-11576987-B2 Compositions and methods of treating melanoma MC1R, TIE1, RB1 KCNJ1 4841/4885KCNH2 4830/4885TBXA2R 2456/4885
US-20240139333-A1 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF DDT, GSTA2, CYP2D6 KCNJ1 4855/4885KCNH2 4717/4885TBXA2R 678/4885
US-20190321495-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA MC1R, TIE1, MKI67 KCNJ1 4826/4885KCNH2 4815/4885TBXA2R 2352/4885

“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.