SCHEMBL2641158

SCHEMBL2641158

SCCn1cnc(-c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2A6 P11509 5/20 0.47
PPARA Q07869 3/20 0.46
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.42
CYP2E1 P05181 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 5/20 0.41

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
SCHEMBL5015554 0.85 HDAC1 (0.55) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL2641155 0.85 HDAC1 (0.52) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL5015510 0.85 HDAC1 (0.55) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL12395816 0.85 HDAC1 (0.52) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL27483841 0.84 HDAC1 (0.51) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL6421317 0.82 HDAC1 (0.50) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL12369723 0.81 HDAC1 (0.54) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL6688124 0.81 HDAC1 (0.54) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL6421312 0.81 HDAC1 (0.49) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL14086708 0.81 HDAC1 (0.49) HDAC1HDAC6CYP2A6PPARAALDH1A1

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 19 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
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
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 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-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 US disclosed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 WO disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-6727229-B2 MACROLIDE ANTIBIOTICS PLAY A THERAPEUTICALLY IMPORTANT ROLE, PARTICULARLY WITH THE EMERGENCE OF NEW PATHOGENS ENANTA PHARMACEUTICALS, INC. 2004-04-27 US disclosed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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 (3 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 HDAC1 134/4885HDAC6 49/4885CYP2A6 1018/4885
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity GALE, GNE, GMDS HDAC1 1232/4885HDAC6 171/4885CYP2A6 1059/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 HDAC1 100/4885HDAC6 299/4885CYP2A6 405/4885

“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.