SCHEMBL4145122

SCHEMBL4145122

CCCCCCCCOCCC(=O)Nc1cc(C)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ASAH1 Q13510 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL13772487 0.84 MAPK14 (0.52) HPGDCNR1CNR2MAPK14
SCHEMBL13772492 0.84 KMT2A (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL13772486 0.83 NTRK1 (0.41) KMT2ASOAT2SOAT1THRATHRB
SCHEMBL13772488 0.82 SOAT2 (0.62) SOAT2SOAT1NPSR1
SCHEMBL9164082 0.81 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2KDM4EGAA
SCHEMBL1861766 0.81 KMT2A (0.51) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL1863437 0.81 KMT2A (0.51) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL4134704 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL6361845 0.75 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL13772481 0.74 MAPK14 (0.53) GAAHPGDCNR1CNR2MAPK14

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 KMT2A 3636/4885MEN1 4659/4885SMN1; SMN2 4885/4885

“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.