SCHEMBL5357545

SCHEMBL5357545

CC(C)(c1ccccc1)c1nc(-c2cn(Cc3ccc(C(F)(F)F)cc3)c3cc(N4CCCNCC4)c(F)cc3c2=O)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.43
LMNA P02545 6/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.38
TOP1 P11387 1/20 0.38

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
SCHEMBL5370616 0.90 THRB (0.40) THRBLMNARXFP1TP53TOP1
SCHEMBL5356562 0.90 THRB (0.52) THRBLMNAKDM4EALDH1A1HPGD
SCHEMBL5349278 0.89 THRB (0.42) THRBLMNAKDM4EALDH1A1HPGD
SCHEMBL5358736 0.89 THRB (0.42) THRBLMNAALDH1A1RXFP1TP53
SCHEMBL5359151 0.88 THRB (0.43) THRBLMNAKDM4EBRD4ALDH1A1
SCHEMBL5456981 0.88 THRB (0.43) THRBLMNARXFP1TP53TOP1
SCHEMBL5362347 0.87 TOP1 (0.40) THRBLMNATOP1
SCHEMBL5349328 0.86 TOP1 (0.41) THRBLMNATOP1
SCHEMBL5358434 0.85 LMNA (0.41) THRBLMNAKDM4EALDH1A1HPGD
SCHEMBL14339753 0.85 THRB (0.47) THRBLMNAKDM4EALDH1A1HPGD

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-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US claimed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 THRB 4510/4885LMNA 4460/4885KDM4E 3960/4885

“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.