SCHEMBL5847419

SCHEMBL5847419

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc([C@@H](C)N(C(=O)O)C(C)(C)C)cc4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
PDE10A Q9Y233 7/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.31
POLB P06746 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL13939574 0.88 TSHR (0.38) TSHRALDH1A1NPC1PDE10AHTT
SCHEMBL3988575 0.88 TSHR (0.38) TSHRALDH1A1NPC1PDE10AHTT
SCHEMBL4468158 0.87 TSHR (0.37) TSHRALDH1A1NPC1PDE10ALMNA
SCHEMBL4468154 0.87 TSHR (0.37) TSHRALDH1A1NPC1PDE10ALMNA
SCHEMBL4467301 0.87 TSHR (0.38) TSHRALDH1A1NPC1PDE10AHTT
SCHEMBL12340534 0.86 TSHR (0.48) TSHRALDH1A1NPC1PDE10ALMNA
SCHEMBL5847423 0.85 TSHR (0.35) TSHRALDH1A1NPC1PDE10ALMNA
SCHEMBL12340729 0.84 GPR139 (0.34) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL4268822 0.83 TSHR (0.37) TSHRALDH1A1NPC1PDE10AHTT
SCHEMBL4470883 0.83 TSHR (0.35) TSHRALDH1A1NPC1PDE10APOLB

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-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 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-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT TSHR 4713/4885ALDH1A1 792/4885NPC1 219/4885

“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.