SCHEMBL4137732

SCHEMBL4137732

CCCCCCCCCCNC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.81
POLB P06746 3/20 0.63
EPHX1 P07099 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.59
TSHR P16473 1/20 0.58
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
THRB P10828 1/20 0.54
RAB9A P51151 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
DDX3X O00571 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
SCHEMBL6442708 0.87 EPHX1 (0.73) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL4127306 0.83 EPHX2 (0.68) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL4141668 0.83 ALDH1A1 (0.62) EPHX2POLBALDH1A1MAPK1GAA
SCHEMBL13480579 0.82 POLB (0.68) EPHX2POLBALDH1A1MAPK1TSHR
SCHEMBL4145745 0.82 GAA (0.62) EPHX2POLBALDH1A1GAAKDM4E
SCHEMBL8778001 0.81 EPHX1 (0.66) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL8600552 0.81 EPHX1 (0.66) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL8389275 0.81 EPHX1 (0.66) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL17079630 0.81 KMT2A (0.70) EPHX2POLBEPHX1ALDH1A1HTT
SCHEMBL3161283 0.81 EPHX1 (0.66) EPHX2POLBEPHX1ALDH1A1HTT

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 3 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

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 EPHX2 4248/4885POLB 1144/4885EPHX1 4403/4885

“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.