SCHEMBL2525820

SCHEMBL2525820

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOCC21CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 2/20 0.39
DGAT1 O75907 1/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2525885 0.89 ALDH1A1 (0.38) ALDH1A1HSD17B10MEN1KMT2ANPSR1
SCHEMBL1169612 0.89 KDM4E (0.41) MTORALDH1A1KDM4EHSD17B10DGAT1
SCHEMBL14064644 0.84 KDM4E (0.39) MTORALDH1A1KDM4EHSD17B10DGAT1
SCHEMBL13647664 0.84 HPGD (0.42) MTORKDM4EHPGDMEN1KMT2A
SCHEMBL1169780 0.83 HPGD (0.40) MTORALDH1A1KDM4EHSD17B10DGAT1
SCHEMBL5388971 0.82 HPGD (0.41) KDM4EHPGDMEN1KMT2AL3MBTL1
SCHEMBL4040128 0.81 KDM4E (0.44) MTORALDH1A1KDM4EHSD17B10DGAT1
SCHEMBL12777203 0.81 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2522401 0.80 ALDH1A1 (0.38) MTORALDH1A1KDM4ERXFP1ALOX15
SCHEMBL2523963 0.80 MAPT (0.42) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 MTOR 1468/4885ALDH1A1 348/4885KDM4E 701/4885

“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.