SCHEMBL4137692

SCHEMBL4137692

CCCCCCCCCCNC(=O)N(C)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
HDAC6 Q9UBN7 2/20 0.49
NAAA Q02083 3/20 0.46
NAMPT P43490 2/20 0.44
MLYCD O95822 1/20 0.44
EPHX1 P07099 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SCD O00767 1/20 0.42

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
SCHEMBL4133486 0.83 NAAA (0.49) EPHX2NAAANAMPTEPHX1ALDH1A1
SCHEMBL9508710 0.80 ALDH1A1 (0.50) NAAANAMPTEPHX1ALDH1A1HTT
SCHEMBL3741148 0.80 HDAC6 (0.44) EPHX2HDAC6ALDH1A1
SCHEMBL3744798 0.80 HDAC6 (0.44) EPHX2HDAC6ALDH1A1
SCHEMBL3200016 0.78 NAAA (0.50) NAAANAMPTEPHX1ALDH1A1HTT
SCHEMBL4137357 0.76 NAAA (0.58) NAAANAMPTEPHX1ALDH1A1HTT
SCHEMBL5268847 0.76 NAAA (0.48) NAAAEPHX1ALDH1A1HTTNPC1
SCHEMBL27376298 0.76 NAAA (0.65) EPHX2NAAAMLYCDALDH1A1HTT
SCHEMBL4137732 0.75 EPHX2 (0.81) EPHX2EPHX1ALDH1A1HTTNPC1
SCHEMBL3399062 0.74 POLQ (0.48) HDAC6ALDH1A1NPC1RAB9A

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 EPHX2 4248/4885HDAC6 713/4885NAAA 213/4885

“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.