SCHEMBL4139737

SCHEMBL4139737

CCCCCCCCCCCCNC(=O)Nc1cc(-c2ccccc2)nn1C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
POLB P06746 1/20 0.57
EPHX1 P07099 5/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SOAT2 O75908 6/20 0.55
SOAT1 P35610 6/20 0.55
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4148506 1.00 MAPT (0.57) MAPTPOLBEPHX1ALDH1A1HTT
SCHEMBL4127315 1.00 MAPT (0.57) MAPTPOLBEPHX1ALDH1A1HTT
SCHEMBL4148523 1.00 MAPT (0.57) MAPTPOLBEPHX1ALDH1A1HTT
SCHEMBL1865256 0.83 SOAT1 (0.77) MAPTPOLBRAB9ASOAT2SOAT1
SCHEMBL13678994 0.80 SOAT1 (0.65) MAPTPOLBALDH1A1RAB9ASOAT2
SCHEMBL4132285 0.80 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4132087 0.80 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4127216 0.80 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4137645 0.80 MEN1 (0.58) EPHX1ALDH1A1HTT
SCHEMBL4145849 0.80 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 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 MAPT 3184/4885POLB 1144/4885EPHX1 4403/4885

“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.