SCHEMBL14920117

SCHEMBL14920117

O=Cc1ccc(Cl)c(O)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.44
TDP1 Q9NUW8 2/20 0.42
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.38
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3705986 0.83 ERN1 (0.48) ERN1TDP1ALDH1A1TRIM24TRIM33
SCHEMBL17842843 0.80 TDP1 (0.46) ERN1TDP1ALDH1A1MEN1LMNA
SCHEMBL8608158 0.80 ERN1 (0.48) ERN1TDP1ALDH1A1DPP4TRIM24
SCHEMBL1922418 0.78 ERN1 (0.47) ERN1TDP1ALDH1A1DPP4TRIM24
SCHEMBL2333604 0.78 ERN1 (0.50) ERN1TRIM24TRIM33MEN1NPC1
SCHEMBL6904097 0.78 TDP1 (0.45) ERN1TDP1ALDH1A1MEN1LMNA
SCHEMBL29951860 0.78 ERN1 (0.50) ERN1TRIM24TRIM33MEN1NPC1
SCHEMBL2263615 0.78 ERN1 (0.63) ERN1TDP1
SCHEMBL10989431 0.77 TDP1 (0.43) ERN1TDP1ALDH1A1TRIM24TRIM33
SCHEMBL12038484 0.75 ERN1 (0.59) ERN1TDP1ALDH1A1MEN1NPC1

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 ERN1 829/4885TDP1 4803/4885MEP1A 3790/4885

“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.