SCHEMBL29516731

SCHEMBL29516731

COc1ccc2[nH]cc(CCNC(=O)C[125I])c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.79
MTNR1B P49286 6/20 0.79
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
ALDH1A1 P00352 2/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP1A1 P04798 1/20 0.76
MPO P05164 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
HTR1A P08908 1/20 0.76
CYP2D6 P10635 1/20 0.76
HPGD P15428 1/20 0.76
NQO2 P16083 1/20 0.76
HTR2B P41595 1/20 0.76
RAB9A P51151 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
CYP1B1 Q16678 1/20 0.76
NOTUM Q6P988 1/20 0.76

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
SCHEMBL5612765 0.89 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL29524586 0.89 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19261961 0.88 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL32678246 0.88 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794072 0.88 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794006 0.88 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5616635 0.88 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794103 0.88 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL23644935 0.86 MTNR1A (0.83) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
Melatonin SCHEMBL4686085 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339423-A1 METHODS FOR TREATING NEUTROPENIA X4 PHARMACEUTICALS INC (US) 2025-11-06 US disclosed
US-20250248991-A1 METHODS FOR TREATING NEUTROPENIA X4 PHARMACEUTICALS, INC. 2025-08-07 US disclosed
US-12377090-B1 Methods for treating neutropenia X4 PHARMACEUTICALS, INC. (US) 2025-08-05 US disclosed
US-20250242064-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME ALPHA-9 ONCOLOGY INC. (CA) 2025-07-31 US disclosed
US-20250152575-A1 METHODS FOR TREATING IMMUNODEFICIENCY DISEASE X4 PHARMACEUTICALS, INC. 2025-05-15 US disclosed
US-12285424-B2 Methods for treating neutropenia X4 PHARMACEUTICALS, INC. (US) 2025-04-29 US disclosed
EP-4511384-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME Provincial Health Services Authority (CA) 2025-02-26 EP disclosed
US-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-28 US disclosed
US-20240082346-A1 Composition Comprising an Antiviral Agent and a CXCR4 Selective Antagonist and Methods For Using the Same MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2024-03-14 US disclosed
US-11883501-B2 Selective CXCR4 binding peptide conjugate and methods for making and using the same MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2024-01-30 US disclosed
US-11771736-B2 Composition comprising a therapeutic agent and a CXCR4 selective antagonist and methods for using the same MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-10-03 US disclosed
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 EP disclosed
US-20230014231-A1 METHODS FOR TREATING NEUTROPENIA X4 PHARMACEUTICALS, INC. 2023-01-19 US disclosed
EP-4117662-A1 METHODS FOR TREATING NEUTROPENIA X4 Pharmaceuticals, Inc. (US) 2023-01-18 EP disclosed
CN-115515585-A Methods for treating neutropenia X4 制药有限公司 2022-12-23 CN disclosed
EP-4097120-A1 ISOTOPICALLY LABELLED SELECTIVE CXCR4 BINDING PEPTIDE CONJUGATE AND METHODS FOR MAKING AND USING THE SAME Mainline Biosciences LLC (US) 2022-12-07 EP disclosed
EP-3393468-B1 METHODS FOR TREATING IMMUNODEFICIENCY DISEASE X4 PHARMACEUTICALS INC (US) 2022-09-14 EP disclosed
US-20220257586-A1 METHODS FOR TREATING IMMUNODEFICIENCY DISEASE X4 PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO 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 (13 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-20250242064-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME CXCR4, CXCL12, ACKR3 MTNR1A 1328/4885MTNR1B 929/4885KMT2A 4385/4885
US-11883501-B2 Selective CXCR4 binding peptide conjugate and methods for making and using the same CXCR4, CXCR1, ACKR3 MTNR1A 1616/4885MTNR1B 1494/4885KMT2A 3119/4885
US-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS CXCR4, CXCL12, CXCR2 MTNR1A 1418/4885MTNR1B 878/4885KMT2A 4432/4885
US-20220257586-A1 METHODS FOR TREATING IMMUNODEFICIENCY DISEASE CXCR4, CXCL12, CCR5 MTNR1A 946/4885MTNR1B 745/4885KMT2A 1343/4885
US-12377090-B1 Methods for treating neutropenia CSF3R, CSF1R, NCF1 MTNR1A 289/4885MTNR1B 163/4885KMT2A 672/4885
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 MTNR1A 414/4885MTNR1B 553/4885KMT2A 3303/4885
US-20250248991-A1 METHODS FOR TREATING NEUTROPENIA CSF3R, CSF1R, NCF1 MTNR1A 289/4885MTNR1B 163/4885KMT2A 672/4885
US-20250339423-A1 METHODS FOR TREATING NEUTROPENIA CSF3R, CSF1R, NCF1 MTNR1A 289/4885MTNR1B 163/4885KMT2A 672/4885
US-20230014231-A1 METHODS FOR TREATING NEUTROPENIA CSF3R, CSF1R, NCF1 MTNR1A 289/4885MTNR1B 163/4885KMT2A 672/4885
US-11771736-B2 Composition comprising a therapeutic agent and a CXCR4 selective antagonist and methods for using the same CXCR4, CXCR3, CXCR1 MTNR1A 1593/4885MTNR1B 1417/4885KMT2A 2796/4885
US-12285424-B2 Methods for treating neutropenia CSF3R, CSF1R, NCF1 MTNR1A 289/4885MTNR1B 163/4885KMT2A 672/4885
US-20250152575-A1 METHODS FOR TREATING IMMUNODEFICIENCY DISEASE CXCR4, CXCL12, CCR5 MTNR1A 946/4885MTNR1B 745/4885KMT2A 1343/4885
US-20240082346-A1 Composition Comprising an Antiviral Agent and a CXCR4 Selective Antagonist and Methods For Using the Same CXCR4, CXCR3, CXCR1 MTNR1A 1564/4885MTNR1B 1404/4885KMT2A 3232/4885

“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.