SCHEMBL14920132

SCHEMBL14920132

Fc1ccc(C(Br)Br)c(F)c1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LTA4H P09960 5/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RHEB Q15382 2/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31

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
SCHEMBL14920185 0.83 RHEB (0.45) CA12CA1CA2CA7CA13
SCHEMBL16117032 0.80 CA12 (0.41) CA12CA1CA2CA7CA13
SCHEMBL14921006 0.78 CA12 (0.39) CA12CA1CA2CA7CA13
SCHEMBL16117081 0.78 CA12 (0.39) CA12CA1CA2CA7CA13
SCHEMBL14920399 0.78 CA12 (0.39) CA12CA1CA2CA7CA13
SCHEMBL14919961 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL14919928 0.76 CA12 (0.41) CA12CA1CA2CA7CA13
SCHEMBL14920528 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL14920681 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL16117020 0.76 CA12 (0.38) CA12CA1CA2CA7CA13

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 CA12 1354/4885CA1 3239/4885CA2 1535/4885

“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.