SCHEMBL4679260

SCHEMBL4679260

CC(O)(P(=O)(O)O)P(=O)(O)Oc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.44
BTN3A1 O00481 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GALR3 O60755 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTT P42858 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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
Water SCHEMBL5177023 0.98 FDPS (0.43) FDPSBTN3A1PDE3ASMN1; SMN2KMT2A
SCHEMBL5713396 0.84 FDPS (0.41) FDPSBTN3A1PDE3ASMN1; SMN2KMT2A
SCHEMBL5897154 0.80 SRC (0.53) FDPSKMT2ALMNATDP1ALDH1A1
SCHEMBL28096006 0.77 SMN1; SMN2 (0.45) FDPSSMN1; SMN2KMT2ALMNATDP1
SCHEMBL28219782 0.77 SRC (0.57) FDPSBTN3A1PDE3ASMN1; SMN2KMT2A
SCHEMBL27714398 0.74 KMT2A (0.45) FDPSSMN1; SMN2KMT2ALMNATDP1
SCHEMBL4744280 0.74 SMN1; SMN2 (0.45) FDPSBTN3A1PDE3ASMN1; SMN2KMT2A
SCHEMBL7165035 0.74 ACHE (0.40) FDPSKMT2ALMNAALDH1A1
SCHEMBL18301043 0.73 SMN1; SMN2 (0.42) FDPSSMN1; SMN2KMT2ALMNATDP1
SCHEMBL7164282 0.73 SRC (0.36) FDPSKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276604-B2 Crystalline form of the sodium salt of 3-pyridyl-1-hydroxyethylidene-1,1-bisphosphonic acid ZENTIVA A.S. (CZ) 2007-10-02 US claimed
EP-1556041-B1 NEW CRYSTALLINE HYDRATES OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID ZENTIVA AS (CZ) 2007-08-29 EP claimed
US-20060148762-A1 New crystalline form of the sodium salt of 3-pyridyl-1-hydroxyehtylidene-1,1-bisphosphonic acid ZENTIVA, A.S. (CZ) 2006-07-06 US claimed
EP-1828214-A4 PROCESS FOR PREPARING A PURE POLYMORPHIC FORM OF 3-PYRIDYL-1-HYDROXYETHYLIDINE-1,1-BISPHOSPHONIC ACID SODIUM SALT JUBILANT ORGANOSYS LTD (IN) 2008-08-13 EP disclosed
US-7276604-B2 Crystalline form of the sodium salt of 3-pyridyl-1-hydroxyethylidene-1,1-bisphosphonic acid ZENTIVA A.S. (CZ) 2007-10-02 US disclosed
EP-1828214-A1 PROCESS FOR PREPARING A PURE POLYMORPHIC FORM OF 3-PYRIDYL-1-HYDROXYETHYLIDINE-1,1-BISPHOSPHONIC ACID SODIUM SALT Jubilant Organosys Limited (IN) 2007-09-05 EP disclosed
EP-1556041-B1 NEW CRYSTALLINE HYDRATES OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID ZENTIVA AS (CZ) 2007-08-29 EP disclosed
US-20060148762-A1 New crystalline form of the sodium salt of 3-pyridyl-1-hydroxyehtylidene-1,1-bisphosphonic acid ZENTIVA, A.S. (CZ) 2006-07-06 US disclosed
WO-2006051553-A1 PROCESS FOR PREPARING A PURE POLYMORPHIC FORM OF 3-PYRIDYL-1-HYDROXYETHYLIDINE-1,1-BISPHOSPHONIC ACID SODIUM SALT JUBILANT ORGANOSYS LIMITED (IN) 2006-05-18 WO disclosed
EP-1556041-A1 A NEW CRYSTALLINE FORM OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID Zentiva, A.S. (CZ) 2005-07-27 EP disclosed
WO-2004037252-A1 A NEW CRYSTALLINE FORM OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID ZENTIVA, A.S. (CZ) 2004-05-06 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 (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-20060148762-A1 New crystalline form of the sodium salt of 3-pyridyl-1-hydroxyehtylidene-1,1-bisphosphonic acid SLC20A1, SLC9A1, PHPT1 FDPS 1818/4885BTN3A1 1266/4885PDE3A 3107/4885

“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.