SCHEMBL5545901

SCHEMBL5545901

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ncc[nH]2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 4/20 0.37
CNR2 P34972 8/20 0.37
GPR52 Q9Y2T5 1/20 0.36
CNR1 P21554 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5545883 0.94 NAMPT (0.37) L3MBTL1NAMPTCNR2CNR1KDM4E
SCHEMBL5545793 0.91 L3MBTL1 (0.38) L3MBTL1NAMPTCNR2CNR1KDM4E
SCHEMBL5548075 0.90 CNR2 (0.39) L3MBTL1NAMPTCNR2CNR1MEN1
SCHEMBL5546812 0.88 CNR2 (0.41) L3MBTL1CNR2CNR1KDM4EMEN1
SCHEMBL5545541 0.88 PIK3CA (0.48) NAMPTCNR2CNR1TSHR
SCHEMBL5539175 0.87 CNR2 (0.42) L3MBTL1CNR2GPR52CNR1KDM4E
SCHEMBL15163636 0.86 ALDH1A1 (0.43) NAMPTKDM4EMEN1KMT2ATSHR
SCHEMBL5539033 0.85 L3MBTL1 (0.43) L3MBTL1CNR2GPR52CNR1KDM4E
SCHEMBL5546779 0.85 L3MBTL1 (0.53) L3MBTL1GPR52KDM4EMEN1KMT2A
SCHEMBL5541062 0.85 KDM4E (0.44) L3MBTL1CNR2CNR1KDM4EMEN1

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 L3MBTL1 1411/4885NAMPT 18/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885NAMPT 47/4885CNR2 4810/4885

“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.