SCHEMBL5452987

SCHEMBL5452987

O=c1c(-c2noc(Cc3ccc(F)cc3)n2)cn(Cc2ccc(Cl)cc2)c2cc(N3CCN(c4ccccn4)CC3)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CG P48736 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TOP1 P11387 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
SCHEMBL5354358 0.88 LMNA (0.45) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL5367673 0.86 THRB (0.45) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5353775 0.86 ALDH1A1 (0.48) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5355775 0.85 THRB (0.45) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5357552 0.84 PIK3CG (0.44) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5364349 0.83 TOP1 (0.47) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5364635 0.83 LMNA (0.41) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5349408 0.83 LMNA (0.41) LMNAALDH1A1MAPTMAPK1THRB
SCHEMBL5350779 0.82 LMNA (0.42) LMNAALDH1A1THRBMEN1KMT2A
SCHEMBL5459400 0.82 LMNA (0.42) LMNAALDH1A1MAPTMAPK1THRB

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 1759/4885MAPT 4635/4885

“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.