SCHEMBL2167255

SCHEMBL2167255

O=C(OCc1ccccc1)n1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GRIN2B Q13224 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
P2RX4 Q99571 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL432657 0.93 KMT2A (0.49) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL12016597 0.85 CYP19A1 (0.50) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL2152993 0.83 TBXAS1 (0.38) CYP19A1CYP11B1CYP11B2GRIN2BPOLB
SCHEMBL1621471 0.83 CYP19A1 (0.42) KMT2AMEN1NPSR1CYP19A1CYP11B1
SCHEMBL1622205 0.81 CYP11B1 (0.50) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL4059533 0.79 P2RX4 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BP2RX4
SCHEMBL4027132 0.78 HMOX1 (0.48) KMT2AMEN1CYP2C9CYP2C19CYP3A4
SCHEMBL15591339 0.78 TBXAS1 (0.38) KMT2AMEN1NPSR1CYP19A1CYP11B1
SCHEMBL17181088 0.77 CA12 (0.46) KMT2ACYP19A1CYP11B1CYP11B2CYP2D6
SCHEMBL23764025 0.77 LMNA (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed
EP-1411063-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2006-07-19 EP disclosed
EP-1411063-A1 Peptide nucleic acids BUCHARDT, Ole (DK) 2004-04-21 EP disclosed
US-20030180734-A1 Peptide nucleic acids BUCHARDT OLE (DK) 2003-09-25 US disclosed
US-6395474-B1 COMPOUND FOR USE IN HUMAN THERAPEUTICS AND DIAGNOSTICS BUCHARDT OLE (DK) 2002-05-28 US disclosed
EP-1162206-A2 Peptide nucleic acids BUCHARDT, Ole (DK) 2001-12-12 EP disclosed
EP-0586474-B1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 2001-09-12 EP disclosed
EP-1074559-A1 Peptide nucleic acids BUCHARDT, Ole (DK) 2001-02-07 EP disclosed
EP-0586618-B1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT DORTE (DK) 1997-07-16 EP disclosed
WO-1992020702-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 1992-11-26 WO disclosed
WO-1992020703-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT OLE (DK) 1992-11-26 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-20030180734-A1 Peptide nucleic acids RNGTT, POLM, POLRMT KMT2A 2662/4885MEN1 1408/4885NPSR1 638/4885

“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.