SCHEMBL4025035

SCHEMBL4025035

O=C(C[S])Nc1cccc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.73
POLB P06746 2/20 0.69
HTT P42858 1/20 0.66
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HDAC6 Q9UBN7 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC1 Q13547 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.60

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
SCHEMBL1753903 0.89 TDP1 (0.79) TDP1POLBHTTLMNAMAPT
SCHEMBL9464627 0.87 POLB (0.88) TDP1POLBHTTLMNAMAPT
SCHEMBL4025039 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL31174344 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL4866729 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL5442495 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL9464308 0.84 HTT (0.89) TDP1POLBHTTLMNAMAPT
SCHEMBL8401892 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL28774204 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL23080113 0.83 POLB (0.76) TDP1POLBHTTLMNAMAPT

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
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US 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 (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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A TDP1 2695/4885POLB 3397/4885HTT 3924/4885
US-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 TDP1 687/4885POLB 2048/4885HTT 4187/4885

“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.