SCHEMBL4169183

SCHEMBL4169183

CS(=O)(=O)c1nccc(-c2cn(CCCCN3C(=O)c4ccccc4C3=O)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
MAOB P27338 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4163605 0.82 HTR1A (0.41) HTR1A
SCHEMBL4161926 0.82 TSHR (0.42) HTR1AMAOBBCHEACHEALDH1A1
SCHEMBL13851784 0.77 MAPT (0.38) HTR1AMAOBBCHEACHEALDH1A1
SCHEMBL4868174 0.75 TDP1 (0.44) HTR1A
SCHEMBL14268989 0.75 HTR1A (0.45) HTR1AACHE
SCHEMBL13851862 0.73 TDP1 (0.42) ALDH1A1
SCHEMBL8086804 0.73 CYP2E1 (0.58) HTR1A
SCHEMBL14268974 0.72 TDP1 (0.41) ALDH1A1
SCHEMBL4867949 0.71 CYP2E1 (0.43) HTR1AALDH1A1
SCHEMBL8093014 0.71 TSHR (0.49) ALDH1A1

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 HTR1A 2758/4885MAOB 1993/4885BCHE 259/4885

“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.