SCHEMBL5540178

SCHEMBL5540178

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 3/20 0.40
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GRIN2B Q13224 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL15163642 0.91 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNATSHRHTT
SCHEMBL5541094 0.91 L3MBTL1 (0.40) ALDH1A1HSD17B10LMNATSHRHTT
SCHEMBL5545366 0.91 L3MBTL1 (0.43) ALDH1A1HSD17B10HTTSMN1; SMN2NPSR1
SCHEMBL5545945 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNATSHRHTT
SCHEMBL5538439 0.89 GRIN2B (0.45) MEN1KMT2AL3MBTL1CNR2KDM4E
SCHEMBL4584216 0.89 L3MBTL1 (0.44) HSD17B10LMNATSHRHTTSMN1; SMN2
SCHEMBL5548090 0.89 L3MBTL1 (0.42) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5545596 0.89 L3MBTL1 (0.42) ALDH1A1HTTSMN1; SMN2NPSR1MEN1
SCHEMBL5546938 0.89 CNR2 (0.40) ALDH1A1HSD17B10HTTMEN1KMT2A
SCHEMBL5547133 0.88 L3MBTL1 (0.41) LMNAMEN1KMT2AL3MBTL1CNR2

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 ALDH1A1 3812/4885HSD17B10 2218/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 ALDH1A1 3073/4885HSD17B10 1401/4885LMNA 4134/4885

“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.