SCHEMBL63542

SCHEMBL63542

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC1CCC2(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OGFRL1 Q5TC84 2/20 0.34
TSHR P16473 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PRMT5 O14744 1/20 0.34
ADAM17 P78536 1/20 0.34
FKBP1A P62942 1/20 0.34
FSHR P23945 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
FAAH O00519 1/20 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
SCHEMBL62817 0.91 ROCK2 (0.37) HPGDROCK2MAPTKDM4ERORC
SCHEMBL9905086 0.90 HPGD (0.39) HPGDROCK2MAPTKDM4ESMN1; SMN2
SCHEMBL61886 0.88 HPGD (0.38) HPGDROCK2MAPTKDM4ESMN1; SMN2
SCHEMBL61903 0.85 ROCK2 (0.36) HPGDROCK2KDM4ESMN1; SMN2RORC
SCHEMBL16130200 0.84 TLR2 (0.38) HPGDROCK2MAPTKDM4ESMN1; SMN2
SCHEMBL63621 0.83 ROCK2 (0.38) HPGDROCK2MAPTKDM4ERORC
SCHEMBL51812 0.81 HPGD (0.35) HPGDROCK2KDM4ESMN1; SMN2RORC
SCHEMBL9905103 0.80 RORC (0.36) RORCTSHRFSHRFAAHCNR2
SCHEMBL52246 0.80 HPGD (0.37) HPGDROCK2MAPTKDM4ERORC
SCHEMBL62151 0.79 ADORA3 (0.37) HPGDROCK2RORCOGFRL1OPRM1

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 HPGD 1406/4885ROCK2 1690/4885MAPT 2585/4885

“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.