SCHEMBL4124902

SCHEMBL4124902

CCCCCCCCCOCC(=O)Nc1ccnn1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CTSK P43235 4/20 0.44
CES2 O00748 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PLA2G4B P0C869 2/20 0.38
MAPK14 Q16539 1/20 0.38
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL13678948 0.91 CTSK (0.42) POLBCTSKCES2KMT2AGAA
SCHEMBL4139158 0.86 CTSK (0.45) CTSKCES2ALDH1A1HPGDKMT2A
SCHEMBL1858809 0.82 POLB (0.51) POLBCTSKHPGDKMT2AHSP90AA1
SCHEMBL1867068 0.79 POLB (0.46) POLBCTSKKMT2AHSP90AA1HSP90AB1
SCHEMBL13772430 0.78 CES2 (0.43) CES2ALDH1A1HPGDPLA2G4BCYP3A4
SCHEMBL13772481 0.78 MAPK14 (0.53) HPGDGAAMAPK14
SCHEMBL13772482 0.76 SOAT2 (0.57) POLBALDH1A1
SCHEMBL13772480 0.76 NTRK1 (0.41) CES2PLA2G4BMAPK14
SCHEMBL12630078 0.72 POLB (0.52) POLBCTSKALDH1A1HPGDKMT2A
SCHEMBL13772492 0.72 KMT2A (0.49) ALDH1A1KMT2AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 POLB 1144/4885CTSK 1981/4885CES2 4109/4885

“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.