SCHEMBL5353229

SCHEMBL5353229

C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(-c2noc(C(C)(C)c4ccc(F)cc4)n2)cn3Cc2ccc(C(F)(F)F)cc2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TOP1 P11387 6/20 0.38
HDAC6 Q9UBN7 4/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC1 Q13547 1/20 0.35
THRB P10828 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5349328 0.95 TOP1 (0.41) LMNATOP1HDAC6HDAC8HDAC1
SCHEMBL5356883 0.92 LMNA (0.40) LMNATOP1HDAC6HDAC8HDAC1
SCHEMBL14339757 0.88 LMNA (0.44) LMNATOP1HDAC6HDAC8HDAC1
SCHEMBL14339753 0.88 THRB (0.47) LMNAHDAC6HDAC8THRB
SCHEMBL5362347 0.88 TOP1 (0.40) LMNATOP1HDAC6HDAC8HDAC1
SCHEMBL5350679 0.87 LMNA (0.44) LMNATOP1HDAC6HDAC8THRB
SCHEMBL5358434 0.87 LMNA (0.41) LMNATOP1HDAC6HDAC8HDAC1
SCHEMBL5353958 0.87 RXFP1 (0.44) LMNAHDAC6HDAC8HDAC1RXFP1
SCHEMBL14339573 0.86 LMNA (0.45) LMNATOP1HDAC6HDAC8THRB
SCHEMBL5356010 0.85 LMNA (0.46) LMNATOP1THRBRXFP1

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 4460/4885TOP1 740/4885HDAC6 436/4885

“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.