SCHEMBL4130247

SCHEMBL4130247

CCCCCCCCCCCC(=O)Nc1cc(C)nn1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 4/20 0.75
SOAT1 P35610 4/20 0.75
NTRK1 P04629 2/20 0.64
ALDH1A1 P00352 4/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
ATM Q13315 1/20 0.62
GAA P10253 2/20 0.60
KCNJ6 P48051 2/20 0.58
KCNJ5 P48544 2/20 0.58
KCNJ3 P48549 2/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 2/20 0.56
THRB P10828 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL16171341 0.86 SOAT2 (1.00) SOAT2SOAT1ALDH1A1HTTLMNA
SCHEMBL19448012 0.86 SOAT2 (1.00) SOAT2SOAT1ALDH1A1HTTLMNA
SCHEMBL16171342 0.86 SOAT2 (1.00) SOAT2SOAT1ALDH1A1HTTLMNA
SCHEMBL13811056 0.85 SOAT2 (0.59) SOAT2SOAT1NTRK1ALDH1A1HTT
SCHEMBL4125510 0.83 NTRK1 (0.68) SOAT2SOAT1NTRK1ALDH1A1HTT
SCHEMBL15717788 0.83 NTRK1 (0.85) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL7936656 0.81 NTRK1 (0.72) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL16595134 0.79 NTRK1 (1.00) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL21775898 0.78 SOAT2 (0.51) SOAT2SOAT1NTRK1ALDH1A1HTT
SCHEMBL21775901 0.78 SOAT2 (0.51) SOAT2SOAT1NTRK1ALDH1A1HTT

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 SOAT2 3808/4885SOAT1 3290/4885NTRK1 4159/4885

“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.