SCHEMBL5545834

SCHEMBL5545834

CC(C)OCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
RXFP1 Q9HBX9 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIF1A Q16665 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
SCHEMBL5548593 0.96 L3MBTL1 (0.41) KMT2ALMNAL3MBTL1CNR2KDM4E
SCHEMBL16010305 0.95 L3MBTL1 (0.39) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5546756 0.94 KMT2A (0.42) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5545546 0.92 KMT2A (0.42) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5545649 0.92 KMT2A (0.41) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5546607 0.91 KMT2A (0.40) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5548089 0.90 L3MBTL1 (0.40) KMT2ALMNAL3MBTL1SMN1; SMN2CNR2
SCHEMBL5547368 0.90 KMT2A (0.46) KMT2ALMNAL3MBTL1RXFP1SMN1; SMN2
SCHEMBL5545417 0.89 L3MBTL1 (0.43) KMT2ALMNAL3MBTL1SMN1; SMN2CNR2
SCHEMBL5538396 0.88 KMT2A (0.40) KMT2ALMNAL3MBTL1RXFP1SMN1; 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 KMT2A 502/4885LMNA 3503/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885LMNA 4134/4885L3MBTL1 1408/4885

“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.