SCHEMBL5454766

SCHEMBL5454766

CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(CC(C)(C)C)n2)cn3Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 4/20 0.41

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
SCHEMBL5354358 0.89 LMNA (0.45) LMNAALDH1A1DRD3POLBMAPT
SCHEMBL5468174 0.89 LMNA (0.48) LMNAALDH1A1DRD3POLBMAPT
SCHEMBL5353623 0.89 LMNA (0.47) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL5364635 0.89 LMNA (0.41) LMNAALDH1A1DRD3POLBMAPT
SCHEMBL5367673 0.89 THRB (0.45) LMNAALDH1A1DRD3MAPTMAPK1
SCHEMBL5353917 0.88 LMNA (0.43) LMNAALDH1A1DRD3MAPTMAPK1
SCHEMBL5459400 0.87 LMNA (0.42) LMNAALDH1A1DRD3POLBMAPT
SCHEMBL5365938 0.87 ALDH1A1 (0.41) LMNAALDH1A1DRD3MAPTMAPK1
SCHEMBL5362807 0.86 ALDH1A1 (0.42) LMNAALDH1A1DRD3MAPTMAPK1
SCHEMBL5353775 0.85 ALDH1A1 (0.48) LMNAALDH1A1DRD3MAPTMAPK1

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 4460/4885ALDH1A1 1759/4885DRD3 4329/4885

“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.