SCHEMBL3671306

SCHEMBL3671306

[CH2]CCn1cnc2cncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
LTA4H P09960 1/20 0.50
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP1A2 P05177 9/20 0.35
ALDH1A1 P00352 7/20 0.35
CYP2C19 P33261 6/20 0.35
CYP3A4 P08684 6/20 0.35
CYP2C9 P11712 5/20 0.35
USP2 O75604 4/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 6/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 4/20 0.33
CYP2D6 P10635 3/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL7102528 0.90 FDPS (0.49) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL10857669 0.85 FDPS (0.54) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL27932506 0.84 FDPS (0.53) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL9597540 0.82 FDPS (0.55) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL31024294 0.82 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL28231111 0.82 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL10163117 0.82 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL4020843 0.82 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL5017277 0.82 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL6259635 0.82 FDPS (0.55) FDPSLTA4HHDAC1HDAC6CYP1A2

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 15 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
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN 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
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-6326387-B1 NEUROTROPIC COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2001-12-04 US disclosed
EP-1117372-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-07-25 EP disclosed
EP-1117371-A2 METHOD OF TREATING HAIR LOSS USING KETOAMIDES The Procter & Gamble Company (US) 2001-07-25 EP disclosed
WO-2000018358-A2 METHOD OF TREATING HAIR LOSS USING KETOAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018361-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES 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 FDPS 61/4885LTA4H 1214/4885HDAC1 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 FDPS 346/4885LTA4H 1084/4885HDAC1 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.