SCHEMBL4132993

SCHEMBL4132993

CCCCCCCCNC(=O)Nc1cc(C2CC2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
EPHX1 P07099 17/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
NTRK1 P04629 1/20 0.43
EPHX2 P34913 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
SCHEMBL13772469 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL13772471 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL13772461 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL13772473 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL13772468 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL4132151 1.00 PKM (0.46) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL4142465 0.95 PKM (0.50) PKMHTTMAPK1NTRK1
SCHEMBL4011397 0.88 MAPK1 (0.45) PKMEPHX1ALDH1A1HTTMAPK1
SCHEMBL4132087 0.81 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2
SCHEMBL4137645 0.81 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2

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 PKM 4493/4885EPHX1 4403/4885ALDH1A1 4657/4885

“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.