SCHEMBL4046865

SCHEMBL4046865

O=C(NCCN1CCOCC1)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.49
PIK3CA P42336 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 1/20 0.47
HTR3A P46098 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MDM2 Q00987 1/20 0.43

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
SCHEMBL4057107 0.84 POLB (0.46) CD274PIK3CAHPGDTSHRCNR2
SCHEMBL4049646 0.83 LMNA (0.49) CNR2LMNAPOLBSMN1; SMN2MEN1
SCHEMBL4206283 0.82 MEN1 (0.45) PIK3CAEPHX2POLBSMN1; SMN2MEN1
SCHEMBL13947766 0.79 MEN1 (0.46) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4203003 0.79 LIPG (0.49) HPGDCNR2SMN1; SMN2MEN1KMT2A
SCHEMBL4198902 0.77 MEN1 (0.62) HPGDLMNAPOLBSMN1; SMN2MEN1
SCHEMBL4199780 0.76 MEN1 (0.43) CNR2POLBMEN1KMT2AKCNH2
SCHEMBL4218950 0.76 MEN1 (0.61) HPGDLMNAPOLBSMN1; SMN2MEN1
SCHEMBL4199063 0.75 MEN1 (0.47) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL13947768 0.74 POLB (0.53) LMNAPOLBSMN1; SMN2MEN1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP claimed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US claimed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US claimed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP claimed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 WO claimed
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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 (1 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP CD274 1940/4885PIK3CA 176/4885HPGD 2589/4885

“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.