SCHEMBL2638441

SCHEMBL2638441

O=C(C[S])Nc1ccc2ncccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
POLB P06746 3/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP1A2 P05177 1/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
PABPC1 P11940 1/20 0.62
NOTUM Q6P988 2/20 0.62
HDAC6 Q9UBN7 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL29944526 0.89 NPC1 (0.77) NPC1POLBMAPTMEN1KMT2A
SCHEMBL5142389 0.89 NPC1 (0.77) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2639001 0.89 NPC1 (0.67) NPC1POLBMAPTMEN1KMT2A
SCHEMBL27599014 0.85 NPC1 (0.70) NPC1POLBMAPTMEN1KMT2A
SCHEMBL21296585 0.85 NPC1 (0.70) NPC1POLBMAPTMEN1KMT2A
SCHEMBL4858749 0.85 NPC1 (0.70) NPC1POLBMAPTMEN1KMT2A
SCHEMBL8402849 0.85 NPC1 (0.70) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2638443 0.85 HDAC6 (0.72) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28359062 0.84 ALDH1A1 (0.72) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2639005 0.83 HDAC6 (0.69) NPC1POLBMAPTMEN1KMT2A

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 NPC1 133/4885POLB 3397/4885MAPT 4637/4885

“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.