SCHEMBL63561

SCHEMBL63561

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

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
CCR5 P51681 1/20 0.32
MAT2A P31153 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31
PRMT5 O14744 1/20 0.31
GLRA1 P23415 1/20 0.30
BRD4 O60885 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL62833 0.91 MAOB (0.33) HPGDLMNAMAOBSMN1; SMN2CA9
SCHEMBL53152 0.91 HPGD (0.38) HPGDSMN1; SMN2
SCHEMBL62662 0.87 MAOB (0.33) HPGDLMNAMAOBSMN1; SMN2CA9
SCHEMBL51931 0.83 HPGD (0.40) HPGDSMN1; SMN2
SCHEMBL52083 0.79 HPGD (0.38) HPGDLMNASMN1; SMN2
SCHEMBL51673 0.79 LMNA (0.38) HPGDLMNASMN1; SMN2SLC6A5
SCHEMBL9905086 0.73 HPGD (0.39) HPGDSMN1; SMN2
SCHEMBL9905376 0.72 OPRM1 (0.35) HPGDSMN1; SMN2
SCHEMBL9905103 0.72 RORC (0.36)
SCHEMBL14214193 0.71 TSHR (0.36)

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 1406/4885CCR5 261/4885MAT2A 1325/4885

“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.