SCHEMBL18794891

SCHEMBL18794891

NCCCCCCCCn1c(-c2ccc(Br)cc2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 4/20 0.39
USP2 O75604 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SIK1 P57059 2/20 0.34
SIK2 Q9H0K1 2/20 0.34
SIK3 Q9Y2K2 2/20 0.34

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
SCHEMBL18794906 0.80 TDP1 (0.41) TDP1ALOX15ALDH1A1LMNAMEN1
SCHEMBL28138220 0.77 TDP1 (0.46) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL18794882 0.76 IDO1 (0.36) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL22560059 0.73 USP2 (0.57) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL2162012 0.72 TDP1 (0.69) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL22560057 0.71 TDP1 (0.65) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL2163633 0.68 LMNA (0.49) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL8918756 0.59 ATM (0.50)
SCHEMBL16065410 0.59 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL17406960 0.59 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368517-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2023-07-05 EP disclosed
US-10807960-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-10-20 US disclosed
US-20180305321-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-10-25 US disclosed
EP-3368517-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven (BE) 2018-09-05 EP disclosed
WO-2017070755-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-05-04 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 (2 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-20180305321-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AADAC, TYR, HAAO TDP1 1540/4885ALOX15 1509/4885ALDH1A1 1904/4885
US-10807960-B2 Compounds, compositions, and methods for controlling biofilms AADAC, TYR, HAAO TDP1 1540/4885ALOX15 1509/4885ALDH1A1 1904/4885

“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.