SCHEMBL4048441

SCHEMBL4048441

CNC(=O)c1cc(F)ccc1CNC(=O)c1nn2c(c1O)C(=O)N(C)CC2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 10/20 0.38
P2RX7 Q99572 1/20 0.36
CYP3A4 P08684 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL4197803 1.00 SLC22A2 (0.38) SLC22A2P2RX7CYP3A4TMEM97ABCG2
SCHEMBL4047791 1.00 SLC22A2 (0.38) SLC22A2P2RX7CYP3A4TMEM97ABCG2
SCHEMBL4199666 0.94 SLC22A2 (0.38) SLC22A2P2RX7
SCHEMBL4211772 0.94 SLC22A2 (0.39) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4049611 0.94 SLC22A2 (0.39) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4206599 0.93 SLC22A2 (0.38) SLC22A2P2RX7CYP3A4TMEM97ABCG2
SCHEMBL4195428 0.93 SLC22A2 (0.38) SLC22A2P2RX7CYP3A4TMEM97ABCG2
SCHEMBL4200354 0.92 LIPG (0.38) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4199784 0.92 LIPG (0.38) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4196616 0.92 SLC22A2 (0.37) SLC22A2

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 13 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
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 SLC22A2 4420/4885P2RX7 940/4885CYP3A4 298/4885

“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.