SCHEMBL5897452

SCHEMBL5897452

N#Cc1ccc(Oc2ccccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
AR P10275 4/20 0.54
MERTK Q12866 1/20 0.50
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.45
TLR8 Q9NR97 1/20 0.45
MAOB P27338 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 1/20 0.44
CYP11B1 P15538 2/20 0.43
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XIAP P98170 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL7700911 0.86 SLC6A4 (0.62) SLC6A4ARMERTKPOLBGAA
SCHEMBL3421695 0.84 SLC6A4 (0.60) SLC6A4ARMERTKPOLBGAA
SCHEMBL7176453 0.84 DPP4 (0.53) SLC6A4ARMAPTLMNASMN1; SMN2
SCHEMBL9422296 0.81 SLC6A4 (0.57) SLC6A4ARPOLBGAACYP19A1
SCHEMBL920869 0.81 AR (0.54) SLC6A4ARCYP19A1PDE4APDE4B
SCHEMBL8546657 0.80 MERTK (0.52) SLC6A4ARMERTKPOLBCYP19A1
SCHEMBL4371959 0.80 AR (0.50) SLC6A4ARMERTK
SCHEMBL8545187 0.79 MERTK (0.55) SLC6A4ARMERTKPOLBCYP19A1
SCHEMBL11649803 0.79 SLC6A4 (0.57) SLC6A4ARMERTKCYP19A1MAPT
SCHEMBL10088434 0.79 AR (0.65) SLC6A4ARMERTKCYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 US disclosed
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 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 (2 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 SLC6A4 4239/4885AR 4284/4885MERTK 3190/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI SLC6A4 4118/4885AR 4343/4885MERTK 2987/4885

“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.