SCHEMBL5459447

SCHEMBL5459447

Cc1cccc(Cc2nc(-c3cn(CC4CCCCC4)c4cc(N5CCN(C)CC5)c(F)cc4c3=O)no2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 1/20 0.39
DRD3 P35462 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
SCHEMBL5459372 0.94 ALDH1A1 (0.43) THRBLMNAPOLBALDH1A1KDM4E
SCHEMBL5452963 0.89 ALDH1A1 (0.41) THRBLMNAPOLBALDH1A1KDM4E
SCHEMBL5353717 0.87 KDM4E (0.43) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL5354114 0.87 KDM4E (0.42) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL5474076 0.85 KDM4E (0.42) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL5346954 0.81 ALDH1A1 (0.50) THRBLMNAPOLBALDH1A1KDM4E
SCHEMBL5464589 0.81 ALDH1A1 (0.45) THRBLMNATP53ALDH1A1KDM4E
SCHEMBL5361936 0.80 ALDH1A1 (0.45) THRBLMNATP53POLBALDH1A1
SCHEMBL5372559 0.79 ALDH1A1 (0.46) THRBLMNATP53ALDH1A1KDM4E
SCHEMBL5351360 0.79 ALDH1A1 (0.42) THRBLMNAPOLBALDH1A1KDM4E

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 THRB 4510/4885LMNA 4460/4885TP53 2044/4885

“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.