SCHEMBL61868

SCHEMBL61868

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N(C)C(=O)C(=O)OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
OGFRL1 Q5TC84 8/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 5/20 0.32
OPRK1 P41145 5/20 0.32
OPRD1 P41143 4/20 0.32
MTOR P42345 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CCR8 P51685 1/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ELANE P08246 1/20 0.31
TP53 P04637 1/20 0.31
ALOX12 P18054 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
SCHEMBL51854 0.87 DPP4 (0.34) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL51693 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL13691610 0.84
SCHEMBL51508 0.83 OGFRL1 (0.33) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL62985 0.83 OGFRL1 (0.36) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL61874 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL52078 0.82 OGFRL1 (0.36) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
Hydrochloric Acid SCHEMBL51522 0.82 OGFRL1 (0.36) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
Hydrochloric Acid SCHEMBL51511 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA
SCHEMBL13657326 0.79 OGFRL1 (0.34) ALDH1A1L3MBTL1OGFRL1KMT2ALMNA

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG ALDH1A1 539/4885L3MBTL1 2276/4885OGFRL1 3981/4885

“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.