SCHEMBL4127538

SCHEMBL4127538

CCCCCCCCCCNC(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
STAT1 P42224 1/20 0.65
ROCK2 O75116 3/20 0.61
ROCK1 Q13464 3/20 0.61
HDAC6 Q9UBN7 4/20 0.60
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
ADORA3 P0DMS8 1/20 0.60
EPHX1 P07099 3/20 0.56

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
SCHEMBL11479812 0.83 HDAC1 (0.80) MAPTALDH1A1NPC1RAB9ASTAT1
SCHEMBL17107157 0.83 HDAC1 (0.80) MAPTALDH1A1NPC1RAB9ASTAT1
SCHEMBL17107235 0.81 HDAC1 (0.77) MAPTALDH1A1NPC1RAB9ASTAT1
SCHEMBL1747034 0.81 MAPT (0.97) MAPTALDH1A1NPC1RAB9ASTAT1
SCHEMBL24359677 0.81 HDAC1 (0.78) MAPTNPC1RAB9AHDAC6HDAC3
SCHEMBL10813540 0.80 MAPT (0.88) MAPTALDH1A1NPC1RAB9AROCK2
SCHEMBL1724171 0.79 MAPT (1.00) MAPTALDH1A1NPC1RAB9ASTAT1
SCHEMBL24359341 0.79 HDAC1 (0.77) MAPTALDH1A1NPC1RAB9AHDAC6
SCHEMBL2557812 0.79 ROCK1 (0.87) ROCK2ROCK1HTT
SCHEMBL10084855 0.79 LMNA (0.57) ALDH1A1NPC1RAB9AEPHX1HTT

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 MAPT 3184/4885ALDH1A1 4657/4885NPC1 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.