SCHEMBL1127229

SCHEMBL1127229

O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
ATM Q13315 1/20 0.66
MAPT P10636 5/20 0.64
GAA P10253 4/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 3/20 0.62
BCHE P06276 2/20 0.62
ACHE P22303 2/20 0.62
BACE1 P56817 2/20 0.62
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SIRT6 Q8N6T7 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
METAP1 P53582 1/20 0.56
ADRB1 P08588 1/20 0.53

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
SCHEMBL22495425 0.85 KMT2A (0.74) KMT2AMEN1ATMMAPTGAA
SCHEMBL22495266 0.85 MAPT (0.51) KMT2AMEN1ATMMAPTGAA
SCHEMBL22495439 0.85 MAPT (0.51) KMT2AMEN1ATMMAPTGAA
SCHEMBL6427075 0.85 GAA (0.65) KMT2AMEN1ATMMAPTGAA
SCHEMBL28462375 0.85 MAPT (0.51) KMT2AMEN1ATMMAPTGAA
SCHEMBL28457074 0.85 MAPT (0.51) KMT2AMEN1ATMMAPTGAA
SCHEMBL7954746 0.82 MAPT (0.68) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL11508407 0.82 KDM4E (0.70) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL22495524 0.82 MAPT (0.63) KMT2AMEN1ATMMAPTGAA
SCHEMBL22495265 0.81 KMT2A (0.57) KMT2AMEN1ATMMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365659-B2 Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-07-22 US disclosed
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-20240166614-A1 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2024-05-23 US disclosed
US-11905268-B2 Anthranilic acid derivatives and their use in the treatment of human cancers UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-20 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-20220064133-A1 ANTHRANILIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS Sanford Burnham Prebys Medical Discovery Institute 2022-03-03 US disclosed
EP-3833352-A2 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS University of Central Florida Research Foundation, Inc. (US) 2021-06-16 EP disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 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 (9 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 KMT2A 2545/4885MEN1 4703/4885ATM 2864/4885
US-11905268-B2 Anthranilic acid derivatives and their use in the treatment of human cancers ANXA6, ANXA1, ANTXR2 KMT2A 307/4885MEN1 1353/4885ATM 1720/4885
US-20220064133-A1 ANTHRANILIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS ENY2, ANTXR2, ALAD KMT2A 3645/4885MEN1 359/4885ATM 575/4885
US-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 KMT2A 4463/4885MEN1 311/4885ATM 3155/4885
US-12365659-B2 Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers SLC19A1, PNMT, SRM KMT2A 573/4885MEN1 616/4885ATM 3430/4885
US-20240166614-A1 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS SLC19A1, PNMT, SRM KMT2A 573/4885MEN1 616/4885ATM 3430/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 KMT2A 308/4885MEN1 1999/4885ATM 526/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 KMT2A 4496/4885MEN1 326/4885ATM 3273/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 KMT2A 2476/4885MEN1 4749/4885ATM 2878/4885

“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.