SCHEMBL4125510

SCHEMBL4125510

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.68
KCNJ6 P48051 2/20 0.62
KCNJ5 P48544 2/20 0.62
KCNJ3 P48549 2/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 2/20 0.57
GAA P10253 2/20 0.57
EPHX1 P07099 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SOAT2 O75908 2/20 0.54
SOAT1 P35610 2/20 0.54
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 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
SCHEMBL23203469 0.83 MAPK13 (0.73) NTRK1KCNJ6KCNJ5KCNJ3TSHR
SCHEMBL4130247 0.83 SOAT2 (0.75) NTRK1KCNJ6KCNJ5KCNJ3TSHR
SCHEMBL16595134 0.82 NTRK1 (1.00) NTRK1KCNJ6KCNJ5KCNJ3TSHR
SCHEMBL4137645 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4132285 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4135897 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4132087 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4145849 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4127216 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4136924 0.81 MEN1 (0.58) EPHX1ALDH1A1HTT

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 NTRK1 4159/4885KCNJ6 529/4885KCNJ5 468/4885

“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.