SCHEMBL14920787

SCHEMBL14920787

CC(=O)Oc1c(Cl)ccc(C=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB11 O95342 1/20 0.36
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
BACE1 P56817 1/20 0.34
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14920300 0.83 ALDH1A1 (0.38) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL1397054 0.80 MEP1B (0.43) ALDH1A1TDP1MEP1BKDM4EHSD17B10
SCHEMBL14919955 0.78 KDM4E (0.41) ALDH1A1TDP1RAB9AABCB11KDM4E
SCHEMBL11477102 0.77 CA1 (0.46) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL18489109 0.75 ALDH1A1 (0.38) ALDH1A1TDP1MEP1BKDM4EL3MBTL1
SCHEMBL18489256 0.75 ALDH1A3 (0.37) TDP1MEP1BERN1MAPT
SCHEMBL14920174 0.73 ABCB11 (0.35) ALDH1A1TDP1ABCB11KDM4EHSD17B10
SCHEMBL20210949 0.73 ABCB11 (0.42) ALDH1A1TDP1MEN1KMT2AABCB11
SCHEMBL6055563 0.71 ABCB11 (0.43) ALDH1A1TDP1ABCB11KDM4EHSD17B10
SCHEMBL944679 0.71 ERN1 (0.40) ALDH1A1MEN1RAB9AKMT2AKDM4E

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 ALDH1A1 1940/4885TDP1 4803/4885MEN1 2004/4885

“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.