SCHEMBL5545596

SCHEMBL5545596

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCO)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 2/20 0.37
GRIN2B Q13224 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL5543127 0.95 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5545366 0.95 L3MBTL1 (0.43) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5548090 0.93 L3MBTL1 (0.42) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5538916 0.93 L3MBTL1 (0.42) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5545417 0.92 L3MBTL1 (0.43) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5546845 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5538912 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5539033 0.92 L3MBTL1 (0.43) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5538931 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5132965 0.91 L3MBTL1 (0.40) L3MBTL1MEN1KMT2APOLBSMN1; SMN2

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 1411/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885MEN1 4837/4885KMT2A 819/4885

“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.