SCHEMBL5545883

SCHEMBL5545883

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 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
SCHEMBL5545901 0.94 L3MBTL1 (0.38) NAMPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5545793 0.89 L3MBTL1 (0.38) NAMPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5548075 0.88 CNR2 (0.39) NAMPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL15163636 0.86 ALDH1A1 (0.43) NAMPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5546812 0.86 CNR2 (0.41) KDM4EMEN1KMT2AL3MBTL1CNR2
SCHEMBL5545541 0.86 PIK3CA (0.48) NAMPTCNR2CNR1
SCHEMBL5538544 0.84 KDM4E (0.39) NAMPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5545945 0.83 ALDH1A1 (0.42) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5545799 0.83 KDM4E (0.42) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL15163560 0.83 TP53 (0.42) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1

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 NAMPT 18/4885KDM4E 1268/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 NAMPT 47/4885KDM4E 1255/4885SMN1; SMN2 4786/4885

“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.