SCHEMBL5093584

SCHEMBL5093584

O=C(NCC1CCCCC1)c1ccc2cnccc2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
NAMPT P43490 2/20 0.50
CNR1 P21554 5/20 0.49
CNR2 P34972 2/20 0.49
HTT P42858 1/20 0.48
ROCK2 O75116 1/20 0.47
KDM4C Q9H3R0 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
PRMT3 O60678 1/20 0.46
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL3456579 0.84 HTT (0.66) HDAC6CNR1HTTKDM4CNPC1
SCHEMBL5095584 0.82 CD38 (0.49) CNR1PRMT3
SCHEMBL6642854 0.81 KDM4C (0.44) NAMPTCNR1CNR2ROCK2KDM4C
SCHEMBL1018087 0.77 SCN9A (0.48) HDAC3HDAC1HDAC2
SCHEMBL8234022 0.77 LMNA (0.62) HDAC6CNR1HDAC3NPC1
SCHEMBL5368011 0.76 GRIN2B (0.61) NPC1
SCHEMBL4729283 0.76 ALDH1A1 (0.63) KDM4CHDAC3HDAC1HDAC2NPC1
SCHEMBL6642124 0.74 SMN1; SMN2 (0.56) KDM4CHDAC3HDAC1HDAC2NPC1
SCHEMBL5101919 0.74 HDAC3 (0.65) HTTHDAC3HDAC1HDAC2
SCHEMBL3429186 0.73 ALDH1A1 (0.62) HDAC6ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 WO disclosed
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP disclosed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP disclosed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 HDAC6 1412/4885NAMPT 105/4885CNR1 1764/4885
US-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 HDAC6 744/4885NAMPT 1627/4885CNR1 1392/4885

“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.