SCHEMBL5015209

SCHEMBL5015209

[CH2]c1ccc(NC(=O)CNC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 6/20 0.39
MMP2 P08253 5/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NLRP1 Q9C000 1/20 0.38
GAA P10253 1/20 0.38
MMP8 P22894 3/20 0.38
MMP14 P50281 2/20 0.38
ENPP2 Q13822 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
MMP9 P14780 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL5014839 0.83 HDAC1 (0.34) CA12MMP2CA1CA2KMT2A
SCHEMBL5013951 0.79 ENPP2 (0.46) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL5015207 0.79 PTPN1 (0.45) LMNACA1CA2KMT2AALDH1A1
SCHEMBL5013955 0.72 ENPP2 (0.40) LMNAL3MBTL1KMT2AALDH1A1MAPT
SCHEMBL7800005 0.70 NPC1 (0.63) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL6934094 0.70 GAA (0.61) CA12CA1CA2KMT2AALDH1A1
SCHEMBL5495326 0.70 CA1 (0.59) LMNACA1CA2KMT2AMAPT
SCHEMBL1356115 0.70 KMT2A (0.50) LMNAKMT2AALDH1A1MAPTGAA
SCHEMBL23521940 0.67 CYP1A1 (0.70) L3MBTL1CA12CA1CA2KMT2A
SCHEMBL7833686 0.67 TP53 (0.72) LMNACA12CA1CA2KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115720-B2 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION (US) 2006-10-03 US claimed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US claimed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP claimed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 WO claimed
US-7385042-B2 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION 2006-11-09 US disclosed
US-7115720-B2 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION (US) 2006-10-03 US disclosed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US disclosed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP disclosed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 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 (2 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-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) PHOSPHO1, SNRPA1, NPM1 LMNA 2557/4885L3MBTL1 1923/4885CA12 1018/4885
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods SLC10A1, MEN1, REN LMNA 1040/4885L3MBTL1 3171/4885CA12 92/4885

“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.