SCHEMBL5889470

SCHEMBL5889470

CCN(C(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)N(CC)C4=NCCCN4)n(CCC(C)C)c3)cc2)cn1CCC(C)C)C1=NCCCN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 7/20 0.42
NAMPT P43490 4/20 0.39
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL5889469 0.79 RPS6KA2 (0.41) RPS6KA2NAMPTMEN1KMT2AADORA2A
SCHEMBL7253018 0.78
SCHEMBL5889538 0.77 RAB9A (0.39) RPS6KA2NAMPTMEN1KMT2AADORA2A
SCHEMBL5889544 0.73 NAMPT (0.36) RPS6KA2NAMPTMEN1KMT2AADORA2A
SCHEMBL5889802 0.72 MEN1 (0.37) RPS6KA2NAMPTMEN1KMT2ALMNA
SCHEMBL5889536 0.68 TERT (0.42) NAMPTMEN1KMT2ALMNANPSR1
SCHEMBL5889659 0.66 HRAS (0.41) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL5889526 0.65 HRAS (0.53) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL5889791 0.65 MEN1 (0.38) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL5889799 0.65 MEN1 (0.38) NAMPTMEN1KMT2ALMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 RPS6KA2 1675/4885NAMPT 3092/4885FDPS 399/4885

“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.