SCHEMBL4160766

SCHEMBL4160766

Nc1ncc(-c2cn(CCCCN3C(=O)c4ccccc4C3=O)cn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4163594 0.88 HPGDS (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL13851862 0.88 TDP1 (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL7027251 0.86 MEN1 (0.45) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4867949 0.86 CYP2E1 (0.43) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4871015 0.84 TSHR (0.40) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14268974 0.84 TDP1 (0.41) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14268976 0.84 HTR1A (0.44) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4862725 0.83 HTR1A (0.43) TDP1L3MBTL1ALDH1A1
SCHEMBL8086804 0.83 CYP2E1 (0.58)
SCHEMBL13851782 0.82 MAPT (0.39) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1960413-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-08-27 EP disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 WO disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 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-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS MGAM, MLX, MYCBP TDP1 4449/4885L3MBTL1 3698/4885MAPT 1751/4885

“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.