SCHEMBL5420166

SCHEMBL5420166

COc1ccc2c(cc(CO)n2C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.44
EP300 Q09472 1/20 0.37
DHFR P00374 2/20 0.35
ALDH1A1 P00352 3/20 0.35
S100B P04271 1/20 0.34
MAPT P10636 4/20 0.34
RORC P51449 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 2/20 0.33
ASH1L Q9NR48 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33

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
SCHEMBL5418838 0.74 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1GAAKDM4E
SCHEMBL2902810 0.72 RHEB (0.40) RHEBALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL23862827 0.68 RHEB (0.48) RHEBDHFRALDH1A1MAPTRORC
SCHEMBL7971117 0.67 MAOA (0.58) ALDH1A1MAPTL3MBTL1HTTKDM4E
SCHEMBL19865517 0.67 NQO2 (0.42) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL6606799 0.66 BRPF1 (0.51) ALDH1A1MAPTHTTGAAKDM4E
SCHEMBL18271426 0.65 MAPT (0.44) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL23709579 0.65 RHEB (0.76) RHEBALDH1A1MAPTKDM4EHPGD
SCHEMBL12527325 0.65 RHEB (0.58) RHEBALDH1A1MAPTRORCASH1L
SCHEMBL27228197 0.65 CCR4 (0.44) EP300ALDH1A1S100BMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-20040176332-A1 Phosphoramide compounds PURDUE RESEARCH FOUNDATION 2004-09-09 US disclosed
US-6656926-B2 For therapy and prophylaxis of cancer PURDUE RESEARCH FOUNDATION 2003-12-02 US disclosed
US-20030008850-A1 For therapy and prophylaxis of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 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 (2 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-20040176332-A1 Phosphoramide compounds RB1, RRM2B, RRM1 RHEB 352/4885EP300 2246/4885DHFR 680/4885
US-20030008850-A1 For therapy and prophylaxis of cancer BRCA1, RRM2B, FOLR1 RHEB 348/4885EP300 2570/4885DHFR 53/4885

“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.