SCHEMBL4125524

SCHEMBL4125524

CCCCCCCCCCNC(=O)Nc1ccnn1CC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
EPHX1 P07099 12/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
EPHX2 P34913 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
NAAA Q02083 1/20 0.46

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
SCHEMBL4133128 0.85 PKM (0.56) PKMEPHX1HTTALDH1A1EPHX2
SCHEMBL4127191 0.82 CTSK (0.43) PKMALDH1A1
SCHEMBL1863235 0.77 CTSK (0.44)
SCHEMBL4139158 0.75 CTSK (0.45) PKMALDH1A1SMN1; SMN2
SCHEMBL5014244 0.74 EPHX1 (0.48) PKMEPHX1HTTALDH1A1EPHX2
SCHEMBL1982137 0.73 TAAR1 (0.50) EPHX1HTTALDH1A1EPHX2SMN1; SMN2
SCHEMBL6360441 0.73 MEN1 (0.44) HTTALDH1A1SMN1; SMN2
SCHEMBL11033138 0.73 EPHX1 (0.84) EPHX1HTTALDH1A1EPHX2HDAC1
SCHEMBL11034317 0.73 EPHX1 (0.84) EPHX1HTTALDH1A1EPHX2HDAC1
SCHEMBL6438783 0.73 EPHX1 (0.84) EPHX1HTTALDH1A1EPHX2HDAC1

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 4403/4885HTT 3476/4885

“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.