SCHEMBL2639342

SCHEMBL2639342

O=C(NCC[S])c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.57
MGAM O43451 1/20 0.56
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 1/20 0.55
BCAT1 P54687 1/20 0.52
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
HTR1A P08908 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HPGDS O60760 2/20 0.51
NAMPT P43490 1/20 0.50
TNKS O95271 1/20 0.50
CNR2 P34972 1/20 0.50
CFTR P13569 1/20 0.49
KDR P35968 1/20 0.49
PREP P48147 1/20 0.48
PLD2 O14939 1/20 0.48
PLD1 Q13393 1/20 0.48

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
SCHEMBL29222038 0.86 HDAC3 (0.61) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL30858823 0.86 HDAC3 (0.61) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL2639346 0.86 MGAM (0.56) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL10242977 0.83 HDAC3 (0.61) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL7209315 0.82 MGAM (0.59) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL14387543 0.82 HDAC3 (0.55) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL5020897 0.82 HDAC3 (0.61) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL6030178 0.82 PLK1 (0.63) HDAC1HDAC2BCAT1DRD3HTR1A
SCHEMBL20656769 0.81 NPC1 (0.65) PPARDMGAMHDAC3HDAC1HDAC2
SCHEMBL5309154 0.81 MGAM (0.62) PPARDMGAMHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A PPARD 2531/4885MGAM 68/4885HDAC3 143/4885

“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.