SCHEMBL4133101

SCHEMBL4133101

CCCCCCCCCCNC(=O)N(C)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
EPHX1 P07099 6/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL5815924 0.85 NPC1 (0.45) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL2085864 0.85 LPL (0.47) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL2083250 0.84 CYP1A2 (0.49) NAAAEPHX1
SCHEMBL4141687 0.83 HDAC11 (0.45) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL4137357 0.83 NAAA (0.58) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL3210607 0.83 NAAA (0.49) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL2086284 0.83 LPL (0.46) NAAAEPHX1NPC1RAB9AALDH1A1
SCHEMBL2085239 0.83 CYP1A2 (0.48) NAAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4144101 0.80 LTB4R2 (0.52) NPC1RAB9AALDH1A1HTTLTB4R2
SCHEMBL4140925 0.79 CNR1 (0.43) NAAAEPHX2HTTTRPV1

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 NAAA 213/4885EPHX1 4403/4885NPC1 4189/4885

“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.