SCHEMBL14920185

SCHEMBL14920185

Fc1c(C(Br)Br)ccc(Cl)c1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 6/20 0.45
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSP90AA1 P07900 2/20 0.33
NSD2 O96028 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL14920132 0.83 CA12 (0.39) RHEBCA12CA1CA2CA7
SCHEMBL16117245 0.81 RHEB (0.40) RHEBCA12CA1CA2CA7
SCHEMBL16117238 0.81 RHEB (0.40) RHEBCA12CA1CA2CA7
SCHEMBL14920381 0.78 CFD (0.39) RHEBCA12CA1CA2CA7
SCHEMBL3639612 0.78 EPAS1 (0.31)
SCHEMBL16120250 0.78 RHEB (0.38) RHEBCA12CA1CA2CA7
SCHEMBL14920131 0.78
SCHEMBL14920468 0.78
Hydrochloric Acid SCHEMBL14919895 0.77
SCHEMBL16120259 0.77 RHEB (0.37) RHEBCA12CA1CA2CA7

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 RHEB 2097/4885CA12 1354/4885CA1 3239/4885

“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.