SCHEMBL5459400

SCHEMBL5459400

CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4F)n2)cn3Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 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
SCHEMBL5354358 0.93 LMNA (0.45) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5364635 0.91 LMNA (0.41) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5349408 0.91 LMNA (0.41) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5364347 0.90 ALDH1A1 (0.43) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5367673 0.90 THRB (0.45) LMNAALDH1A1DRD3KDM4EHPGD
SCHEMBL5353917 0.89 LMNA (0.43) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5362807 0.88 ALDH1A1 (0.42) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5454766 0.87 LMNA (0.42) LMNAALDH1A1DRD3SMN1; SMN2MEN1
SCHEMBL5468174 0.87 LMNA (0.48) LMNAALDH1A1DRD3SMN1; SMN2KDM4E
SCHEMBL5361263 0.87 ALDH1A1 (0.42) LMNAALDH1A1DRD3SMN1; SMN2MEN1

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 3 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

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.