SCHEMBL5459372

SCHEMBL5459372

CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3CC2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 3/20 0.43
DRD3 P35462 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
THRB P10828 3/20 0.39
NPC1 O15118 1/20 0.39
RAD52 P43351 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5459447 0.94 THRB (0.42) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5452963 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5353717 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5354114 0.89 KDM4E (0.42) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5346954 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5474076 0.87 KDM4E (0.42) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5361936 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5464589 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5367673 0.85 THRB (0.45) ALDH1A1KDM4EHPGDDRD3LMNA
SCHEMBL5372559 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDDRD3LMNA

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 ALDH1A1 1759/4885KDM4E 3960/4885HPGD 2799/4885

“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.