SCHEMBL5540762

SCHEMBL5540762

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccc(N3CCCC3)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
EGLN1 Q9GZT9 1/20 0.39
PIK3CA P42336 1/20 0.39
CNR1 P21554 2/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1G O43497 3/20 0.37
HTR3A P46098 1/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5547211 0.90 CNR2 (0.42) CNR2CNR1HPGDL3MBTL1MEN1
SCHEMBL5538780 0.89 CNR2 (0.42) CNR2EGLN1CNR1HPGDL3MBTL1
SCHEMBL5539175 0.88 CNR2 (0.42) CNR2EGLN1PIK3CACNR1HPGD
SCHEMBL5545520 0.88 KDM4E (0.43) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5546881 0.85 GRIN2B (0.41) CNR2L3MBTL1MEN1KMT2A
SCHEMBL5540865 0.85 MAPT (0.43) CNR2EGLN1CNR1HPGDL3MBTL1
SCHEMBL5545657 0.85 GRIN2B (0.41) CNR2L3MBTL1
SCHEMBL5540664 0.85 EGLN1 (0.44) CNR2EGLN1CNR1L3MBTL1MEN1
SCHEMBL5539033 0.85 L3MBTL1 (0.43) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5547361 0.84 EGLN1 (0.41) CNR2EGLN1PIK3CACNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885EGLN1 3142/4885PIK3CA 1075/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885EGLN1 3238/4885PIK3CA 499/4885

“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.