SCHEMBL6030652

SCHEMBL6030652

O=C(CS)Nc1cccc2ncccc12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
LMNA P02545 2/20 0.74
HTT P42858 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
RECQL P46063 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MAPT P10636 1/20 0.60
CLK1 P49759 1/20 0.60
P2RX7 Q99572 1/20 0.60
HDAC6 Q9UBN7 1/20 0.58
PABPC1 P11940 3/20 0.57
EIF4H Q15056 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL2639033 0.88 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL29728211 0.85 ALDH1A1 (1.00) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL21296583 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL4865337 0.85 ALDH1A1 (1.00) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL8402846 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL6030648 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL27617527 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL29558801 0.83 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL28500879 0.83 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL2639029 0.82 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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 8 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-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 ALDH1A1 3345/4885LMNA 2498/4885HTT 3924/4885

“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.