SCHEMBL52376

SCHEMBL52376

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCN2CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
OGFRL1 Q5TC84 4/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL51724 0.88 KDM1A (0.36) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL6086680 0.84 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1OGFRL1OPRM1
SCHEMBL52029 0.83 CYP1A2 (0.40) KDM4EALDH1A1OGFRL1OPRM1OPRK1
SCHEMBL4395071 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDMEN1HSP90AA1
SCHEMBL5303358 0.81 ALDH1A1 (0.39) KDM4EALDH1A1L3MBTL1LMNATSHR
SCHEMBL6095402 0.80 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1HPGDMEN1
SCHEMBL6095057 0.80 DPP4 (0.43) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL4397168 0.80 CASP3 (0.44) KDM4EALDH1A1HPGD
SCHEMBL4393612 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL4399240 0.79 ADORA3 (0.39) KDM4EALDH1A1L3MBTL1HPGDLMNA

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 9 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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP 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
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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 KDM4E 1609/4885ALDH1A1 539/4885L3MBTL1 2276/4885

“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.