SCHEMBL5357552

SCHEMBL5357552

CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
THRB P10828 3/20 0.43
TOP1 P11387 2/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5367673 0.91 THRB (0.45) THRBKDM4ELMNAALDH1A1MAPT
SCHEMBL5364349 0.88 TOP1 (0.47) THRBTOP1LMNAALDH1A1MAPT
SCHEMBL5355775 0.88 THRB (0.45) THRBTOP1KDM4ELMNAALDH1A1
SCHEMBL5354358 0.86 LMNA (0.45) TOP1KDM4ELMNAALDH1A1MAPT
SCHEMBL5361263 0.85 ALDH1A1 (0.42) PIK3CGPIK3CDPIK3R1PIK3CATHRB
SCHEMBL5364635 0.84 LMNA (0.41) THRBKDM4ELMNAALDH1A1MAPT
SCHEMBL5365938 0.84 ALDH1A1 (0.41) THRBKDM4ELMNAALDH1A1MAPT
SCHEMBL5367539 0.84 THRB (0.42) THRBTOP1KDM4ELMNAALDH1A1
SCHEMBL5452987 0.84 LMNA (0.41) PIK3CGTHRBTOP1LMNAALDH1A1
SCHEMBL5358738 0.84 ALDH1A1 (0.44) THRBTOP1KDM4ELMNAALDH1A1

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 PIK3CG 2532/4885PIK3CD 2670/4885PIK3R1 3537/4885

“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.