SCHEMBL3671304

SCHEMBL3671304

[CH2]CCn1cnc2ncncc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
ADORA2A P29274 2/20 0.33
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL7109676 0.90 LTA4H (0.48) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL11066170 0.82 ADORA2A (0.50) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL5635371 0.81 LTA4H (0.49) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL21591536 0.79 LTA4H (0.48) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL13587965 0.78 LTA4H (0.56) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL31590059 0.78 LTA4H (0.47) LTA4HHDAC6HDAC1ADORA2APDE4B
SCHEMBL48336 0.78 ADORA2A (0.47) LTA4HHDAC6HDAC1ADORA2A
SCHEMBL13044929 0.74 HDAC6 (0.47) LTA4HHDAC6HDAC1ADORA2APDE4D
SCHEMBL338773 0.72 HDAC6 (0.52) LTA4HHDAC6HDAC1TDP1
SCHEMBL3671306 0.71 FDPS (0.51) LTA4HHDAC6HDAC1ADORA2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831812-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH VERTEX PHARMA (US) 2005-12-07 EP claimed
EP-0584223-B1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMA (US) 1999-08-11 EP claimed
US-5620971-A Biologically active acylated amino acid derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-04-15 US claimed
EP-0584223-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-02 EP claimed
WO-1992019593-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-11-12 WO claimed
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20090291964-A1 Potentiators of Antibacterial Activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-26 US disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 US disclosed
US-6326387-B1 NEUROTROPIC COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2001-12-04 US disclosed
EP-1117371-A2 METHOD OF TREATING HAIR LOSS USING KETOAMIDES The Procter & Gamble Company (US) 2001-07-25 EP disclosed
EP-1117372-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-07-25 EP disclosed
WO-2000018361-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018358-A2 METHOD OF TREATING HAIR LOSS USING KETOAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 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 (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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 LTA4H 1214/4885HDAC6 1681/4885HDAC1 1520/4885
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 LTA4H 1084/4885HDAC6 702/4885HDAC1 468/4885

“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.