SCHEMBL13627196

SCHEMBL13627196

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(=O)CO)c(F)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
NPC1 O15118 1/20 0.33
PDE2A O00408 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
PDE10A Q9Y233 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4468003 0.94 TSHR (0.38) POLBTSHRALDH1A1KCNQ3KCNQ2
SCHEMBL13627180 0.92 TSHR (0.35) POLBTSHRALDH1A1NPC1TP53
SCHEMBL13627197 0.92 TSHR (0.35) POLBTSHRALDH1A1NPC1TP53
SCHEMBL4467377 0.91 ALDH1A1 (0.38) POLBTSHRALDH1A1KCNQ3KCNQ2
SCHEMBL3988141 0.90 TSHR (0.38) POLBTSHRALDH1A1NPC1PDE2A
SCHEMBL3989266 0.89 TSHR (0.36) POLBTSHRALDH1A1PDE2ATP53
SCHEMBL13939487 0.88 POLB (0.39) POLBTSHRPDE2ATP53RXFP1
SCHEMBL3987877 0.87 TSHR (0.36) POLBTSHRALDH1A1PDE2ATP53
SCHEMBL4103728 0.87 ALDH1A1 (0.46) POLBTSHRALDH1A1PDE2AKMT2A
SCHEMBL13939582 0.87 TSHR (0.35) POLBTSHRALDH1A1PDE2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US 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-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT POLB 57/4885TSHR 4713/4885ALDH1A1 792/4885

“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.