SCHEMBL14919871

SCHEMBL14919871

NC(=O)C[CH]c1ccc(Cl)c(Oc2ccccn2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 6/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX4 Q99571 1/20 0.33
SLC1A5 Q15758 1/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
P2RX3 P56373 2/20 0.33
HTR1A P08908 2/20 0.32
ADRA1A P35348 2/20 0.32
PDE4B Q07343 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL14920106 0.87 ALOX5AP (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14920689 0.85 P2RX3 (0.33) P2RX3
SCHEMBL14920211 0.85 ALOX5AP (0.33) GRM4
SCHEMBL14920631 0.85 KDM4E (0.37) NPC1RAB9ASMN1; SMN2MAPTHTR1A
SCHEMBL14920690 0.84 KMO (0.37) ALDH1A1L3MBTL1
SCHEMBL14920989 0.82 ALOX5AP (0.37)
SCHEMBL14920130 0.82 RHEB (0.44) SMN1; SMN2MAPTPOLBHSD17B10MEN1
SCHEMBL14920128 0.81
SCHEMBL14920652 0.80 RAF1 (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL14921762 0.79 HSPB1 (0.44) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT

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-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064538-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 SCN7A 1132/4885KCNH2 277/4885NPC1 75/4885

“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.