SCHEMBL52083

SCHEMBL52083

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(OCCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ADAM17 P78536 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
OGFRL1 Q5TC84 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
SCHEMBL51931 0.91 HPGD (0.40) HPGDKDM4ESMN1; SMN2L3MBTL1TP53
SCHEMBL62662 0.90 MAOB (0.33) HPGDKDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL53152 0.89 HPGD (0.38) HPGDKDM4ESMN1; SMN2L3MBTL1TP53
SCHEMBL87206 0.87 HSD17B10 (0.31) HPGDL3MBTL1TP53LMNAKMT2A
SCHEMBL51673 0.85 LMNA (0.38) HPGDKDM4ESMN1; SMN2LMNAMEN1
SCHEMBL9905086 0.82 HPGD (0.39) HPGDKDM4ESMN1; SMN2L3MBTL1TP53
SCHEMBL52189 0.81 OGFRL1 (0.32) OGFRL1
SCHEMBL51826 0.81 OGFRL1 (0.35) HPGDKDM4ESMN1; SMN2L3MBTL1LMNA
SCHEMBL62833 0.80 MAOB (0.33) HPGDKDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL86884 0.80 L3MBTL1 (0.33) HPGDL3MBTL1TP53POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
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
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 1406/4885KDM4E 1609/4885SMN1; SMN2 4431/4885

“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.