SCHEMBL5540832

SCHEMBL5540832

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
ACHE P22303 3/20 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
SCHEMBL5545739 0.95 POLB (0.43) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5546802 0.92 MEN1 (0.39) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5545331 0.91 MEN1 (0.43) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5546696 0.89 MEN1 (0.41) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5547364 0.89 L3MBTL1 (0.42) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5539033 0.89 L3MBTL1 (0.43) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5547346 0.89 CNR2 (0.47) POLBTSHR
SCHEMBL5545303 0.88 MEN1 (0.43) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5538614 0.88 KDM4E (0.42) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL5538396 0.87 KMT2A (0.40) KDM4EMEN1KMT2AL3MBTL1POLB

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 KDM4E 1268/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885MEN1 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.