SCHEMBL7917455

SCHEMBL7917455

CCOC(=N)C(OCCCl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GLO1 Q04760 1/20 0.40
CACNA1F O60840 4/20 0.40
CACNA1D Q01668 4/20 0.40
CACNA1S Q13698 4/20 0.40
CACNA1C Q13936 4/20 0.40
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2191046 0.74 ALDH1A1 (0.55) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL10531013 0.73 LMNA (0.54) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL1095030 0.73 ATM (0.55) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL1044220 0.72 LMNA (0.56) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL2189277 0.71 LMNA (0.57) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL8168821 0.71 LMNA (0.55) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL3727438 0.71 LMNA (0.55) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL10532381 0.71 LMNA (0.57) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL10638754 0.70 ATM (0.51) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL9308387 0.70 LMNA (0.54) KMT2AMEN1HPGDL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 KMT2A 3881/4885MEN1 387/4885HPGD 1872/4885

“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.