SCHEMBL4132955

SCHEMBL4132955

CCCCCCCCCCNC(=O)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
EPHX1 P07099 16/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL5597615 0.95 MAPK1 (0.54) MAPK1EPHX1ALDH1A1HTT
SCHEMBL5597773 0.85 MAPK1 (0.44) MAPK1EPHX1ALDH1A1HTT
SCHEMBL5597635 0.83 HDAC3 (0.43) MAPK1EPHX1ALDH1A1HTTEPHX2
SCHEMBL4003865 0.78 EPHX1 (0.48) EPHX1ALDH1A1HTTEPHX2
SCHEMBL5597497 0.77 CNR1 (0.49)
SCHEMBL5597671 0.76 KMT2A (0.49)
SCHEMBL5597655 0.76 CNR1 (0.56) ALDH1A1HTT
SCHEMBL13772461 0.76 PKM (0.46) MAPK1EPHX1ALDH1A1HTTEPHX2
SCHEMBL13772471 0.76 PKM (0.46) MAPK1EPHX1ALDH1A1HTTEPHX2
SCHEMBL13772473 0.76 PKM (0.46) MAPK1EPHX1ALDH1A1HTTEPHX2

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 MAPK1 1222/4885EPHX1 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.