SCHEMBL5546607

SCHEMBL5546607

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
WNT1 P04628 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
SCHEMBL5546756 0.91 KMT2A (0.42) KMT2ALMNARXFP1L3MBTL1CNR2
SCHEMBL5545834 0.91 KMT2A (0.42) KMT2ALMNARXFP1L3MBTL1CNR2
SCHEMBL5545546 0.90 KMT2A (0.42) KMT2ALMNARXFP1L3MBTL1CNR2
SCHEMBL5547019 0.90 L3MBTL1 (0.39) KMT2AL3MBTL1CNR2ALDH1A1HPGD
SCHEMBL5545649 0.89 KMT2A (0.41) KMT2ALMNARXFP1L3MBTL1CNR2
SCHEMBL5538721 0.88 L3MBTL1 (0.40) KMT2AL3MBTL1CNR2KDM4ETSHR
SCHEMBL5548089 0.87 L3MBTL1 (0.40) KMT2ALMNAL3MBTL1CNR2ALDH1A1
SCHEMBL5548593 0.87 L3MBTL1 (0.41) KMT2ALMNAL3MBTL1CNR2ALDH1A1
SCHEMBL5547368 0.87 KMT2A (0.46) KMT2ALMNARXFP1L3MBTL1ALDH1A1
SCHEMBL5545784 0.87 L3MBTL1 (0.37) KMT2AL3MBTL1CNR2ALDH1A1KDM4E

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 3503/4885RXFP1 4660/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885LMNA 4134/4885RXFP1 4715/4885

“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.