SCHEMBL5350679

SCHEMBL5350679

CC(C)(c1ccc(F)cc1)c1nc(-c2cn(Cc3ccc(C(F)(F)F)cc3)c3cc(N4CCSCC4)c(F)cc3c2=O)no1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
TOP1 P11387 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5349278 0.95 THRB (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14339753 0.92 THRB (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14339757 0.91 LMNA (0.44) LMNAALDH1A1THRBHDAC6HDAC8
SCHEMBL14339573 0.90 LMNA (0.45) LMNAKDM4ETHRBHDAC6HDAC8
SCHEMBL14339752 0.89 THRB (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5358434 0.88 LMNA (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5356883 0.88 LMNA (0.40) LMNAALDH1A1THRBHDAC6HDAC8
SCHEMBL5353958 0.88 RXFP1 (0.44) LMNAHDAC6HDAC8RXFP1
SCHEMBL5356010 0.88 LMNA (0.46) LMNATHRBTOP1RXFP1
SCHEMBL5353229 0.87 LMNA (0.40) LMNATHRBHDAC6HDAC8TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 4460/4885KDM4E 3960/4885ALDH1A1 1759/4885

“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.