SCHEMBL4290837

SCHEMBL4290837

CCOc1cc(OCC(=O)N2CC3C(N)C3C2)ccc1-c1cccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS3 P29474 9/20 0.38
NOS1 P29475 9/20 0.38
NOS2 P35228 9/20 0.38
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
FKBP1A P62942 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CBX7 O95931 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL957006 0.93 NOS3 (0.48) KDM4ESMN1; SMN2NOS3NOS1NOS2
SCHEMBL6583013 0.92 CBX7 (0.41) KDM4ETP53SMN1; SMN2NOS3NOS1
SCHEMBL221453 0.87 NOS1 (0.41) KDM4ESMN1; SMN2NOS3NOS1NOS2
SCHEMBL222427 0.84 NOS3 (0.48) LMNAKDM4ETP53SMN1; SMN2NOS3
SCHEMBL6582950 0.75 NOS3 (0.62) KDM4ESMN1; SMN2NOS3NOS1NOS2
SCHEMBL6583956 0.75 NOS1 (0.48) NOS3NOS1NOS2
SCHEMBL218971 0.73 MCHR1 (0.45) LMNAKDM4ETP53SMN1; SMN2NOS3
SCHEMBL6701913 0.72 NOS3 (0.38) LMNAKDM4ETP53SMN1; SMN2NOS3
SCHEMBL6585074 0.71 ACACA (0.50) KDM4ENOS3NOS1MEN1KMT2A
SCHEMBL6583088 0.71 NOS1 (0.40) TP53NOS3NOS1NOS2CPT2

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
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US 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 (4 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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 LMNA 1289/4885KDM4E 1582/4885TP53 3203/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 LMNA 3347/4885KDM4E 2152/4885TP53 4176/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 LMNA 3698/4885KDM4E 939/4885TP53 4865/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 LMNA 1201/4885KDM4E 4095/4885TP53 4877/4885

“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.