SCHEMBL2639005

SCHEMBL2639005

O=C(CCS)Nc1ccc2ncccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.69
HDAC1 Q13547 3/20 0.69
HDAC3 O15379 2/20 0.69
HDAC4 P56524 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC9 Q9UKV0 2/20 0.69
HDAC5 Q9UQL6 2/20 0.69
NPC1 O15118 7/20 0.67
POLB P06746 3/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP1A2 P05177 1/20 0.63
TSHR P16473 1/20 0.63

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
SCHEMBL2638443 0.89 HDAC6 (0.72) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29944526 0.87 NPC1 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5142389 0.87 NPC1 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL4855482 0.86 NPC1 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2639001 0.86 NPC1 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28787618 0.86 NPC1 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29728217 0.86 NPC1 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3376880 0.84 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29728194 0.84 HDAC1 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29728208 0.84 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7

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 HDAC6 49/4885HDAC1 134/4885HDAC3 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.