SCHEMBL496451

SCHEMBL496451

N#Cc1ccc(Cl)cc1N[C@H]1CCCC[C@@H]1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.39
NOS2 P35228 1/20 0.39
FER P16591 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
HCK P08631 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
MARK3 P27448 1/20 0.36
LTK P29376 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL2709835 1.00 IRAK4 (0.39) IRAK4NOS2FERALDH1A1LMNA
SCHEMBL495856 0.81 MEN1 (0.48) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL495859 0.80 SIGMAR1 (0.43) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL495871 0.80 SIGMAR1 (0.43) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL496028 0.80 TAS2R14 (0.42) IRAK4FER
SCHEMBL496533 0.80 TAS2R14 (0.42) IRAK4FER
SCHEMBL22093103 0.80 MEN1 (0.47) NOS2MEN1KMT2AKDM4EGAA
SCHEMBL496253 0.79 ALDH1A1 (0.42) NOS2FERALDH1A1LMNAMEN1
SCHEMBL4367918 0.79 ALDH1A1 (0.42) NOS2FERALDH1A1LMNAMEN1
SCHEMBL496119 0.78 FER (0.39) IRAK4FERSYKCHEK1

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
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 IRAK4 2558/4885NOS2 1774/4885FER 4641/4885

“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.