SCHEMBL6688124

SCHEMBL6688124

[CH2]Cn1cnc(-c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP2A6 P11509 9/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARA Q07869 1/20 0.45
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2E1 P05181 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42

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
SCHEMBL27483841 0.86 HDAC1 (0.51) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL12369723 0.84 HDAC1 (0.54) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL12395816 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL5015554 0.81 HDAC1 (0.55) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL2641155 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL5015510 0.81 HDAC1 (0.55) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL2641158 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL6421317 0.79 HDAC1 (0.50) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL14086708 0.78 HDAC1 (0.49) HDAC1HDAC6CYP2A6ALDH1A1LMNA
SCHEMBL6421312 0.78 HDAC1 (0.49) HDAC1HDAC6CYP2A6ALDH1A1LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN claimed
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 US claimed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 WO claimed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US claimed
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
CN-101367854-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2010-12-29 CN disclosed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN disclosed
CN-101367854-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-02-18 CN disclosed
CN-101289484-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
CN-101289483-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN 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-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN 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-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity GALE, GNE, GMDS HDAC1 1232/4885HDAC6 171/4885CYP2A6 1059/4885

“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.