SCHEMBL14920652

SCHEMBL14920652

NC(=O)C[CH]c1ccc(Cl)c(Oc2ccncc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.33
RHEB Q15382 1/20 0.33
S1PR2 O95136 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CHEK2 O96017 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 3/20 0.30
CYP3A4 P08684 2/20 0.30
MEN1 O00255 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
SCHEMBL14920130 0.88 RHEB (0.44) RHEBHSD17B10HPGDHTTMAPT
SCHEMBL14920471 0.86 PARP10 (0.37) RHEBHSD17B10HPGDHTTTHRA
SCHEMBL14920388 0.86 PPARG (0.34) RAF1RHEBCHEK2ALDH1A1MAPK14
SCHEMBL14920886 0.85 PARP10 (0.43) RHEBHSD17B10HPGDHTTTHRA
SCHEMBL14920211 0.84 ALOX5AP (0.33) MAPK14
SCHEMBL14920106 0.83 ALOX5AP (0.34) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14920790 0.81 PTPN7 (0.41) HTTCHEK2RAB9ANPC1ALDH1A1
SCHEMBL14920631 0.81 KDM4E (0.37) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL14920459 0.81 LTA4H (0.46) RHEBHTTCHEK2RAB9ANPC1
SCHEMBL14920397 0.80 MET (0.31) HSD17B10

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 RAF1 2241/4885RHEB 2097/4885S1PR2 2875/4885

“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.