SCHEMBL14920106

SCHEMBL14920106

NC(=O)C[CH]c1ccc(Cl)c(Oc2ncccn2)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.34
FEN1 P39748 9/20 0.34
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14920054 0.88 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL14919871 0.87 SCN7A (0.37) PDE4BALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL14921687 0.83 KMT2A (0.33) ALDH1A1LMNATDP1MAPTKMT2A
SCHEMBL14920652 0.83 RAF1 (0.33) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL14920130 0.82 RHEB (0.44) SMN1; SMN2TDP1MAPTPOLBKMT2A
SCHEMBL14920631 0.81 KDM4E (0.37) ALOX5APFEN1SMN1; SMN2KDM4EMAPT
SCHEMBL14920211 0.81 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL14920388 0.81 PPARG (0.34) ALDH1A1
SCHEMBL14920689 0.81 P2RX3 (0.33) ALOX5APFEN1
SCHEMBL14920690 0.80 KMO (0.37) ALDH1A1

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 ALOX5AP 3708/4885FEN1 3518/4885PDE4B 4619/4885

“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.