SCHEMBL62833

SCHEMBL62833

CC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(OCC(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
CA9 Q16790 1/20 0.32
GLRA1 P23415 1/20 0.32
HPGD P15428 1/20 0.32
S1PR5 Q9H228 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL63561 0.91 HPGD (0.32) MAOBCA9GLRA1HPGDSMN1; SMN2
SCHEMBL62662 0.90 MAOB (0.33) MAOBCA9GLRA1HPGDS1PR5
SCHEMBL51931 0.90 HPGD (0.40) HPGDSMN1; SMN2POLBKDM4EL3MBTL1
SCHEMBL53152 0.82 HPGD (0.38) HPGDSMN1; SMN2POLBKDM4EL3MBTL1
SCHEMBL51673 0.82 LMNA (0.38) HPGDSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL52083 0.80 HPGD (0.38) HPGDSMN1; SMN2POLBKDM4EL3MBTL1
SCHEMBL86884 0.76 L3MBTL1 (0.33) HPGDPOLBL3MBTL1NPC1RAB9A
SCHEMBL9905103 0.73 RORC (0.36) ALDH1A1TSHRFSHR
SCHEMBL9905376 0.73 OPRM1 (0.35) HPGDS1PR5SMN1; SMN2KDM4ENPC1
SCHEMBL9905086 0.72 HPGD (0.39) HPGDSMN1; SMN2POLBKDM4EL3MBTL1

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 MAOB 1256/4885CA9 3450/4885GLRA1 4413/4885

“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.