SCHEMBL4199706

SCHEMBL4199706

CNC(=O)c1cc(F)ccc1CNC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 1/20 0.34
P2RX7 Q99572 2/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
GLRA1 P23415 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
UGCG Q16739 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL4200754 0.89 LMNA (0.35) LMNAMAPTL3MBTL1KCNA5P2RX7
SCHEMBL4206908 0.86 P2RX7 (0.37) LMNAMAPTL3MBTL1KCNA5P2RX7
SCHEMBL4203014 0.85 SLC22A2 (0.37)
SCHEMBL4197420 0.76 SMN1; SMN2 (0.46) LMNAMAPTL3MBTL1SMN1; SMN2HMGCR
SCHEMBL4197803 0.75 SLC22A2 (0.38) P2RX7
SCHEMBL4047791 0.75 SLC22A2 (0.38) P2RX7
SCHEMBL4048441 0.75 SLC22A2 (0.38) P2RX7
SCHEMBL4394217 0.75 MAPT (0.37) LMNAMAPTL3MBTL1KCNA5P2RX7
SCHEMBL5643962 0.73 MAPT (0.37) LMNAMAPTL3MBTL1KCNA5P2RX7
SCHEMBL4399125 0.73 LMNA (0.35) LMNAMAPTL3MBTL1KCNA5PLA2G1B

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 5 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 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
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 LMNA 3087/4885MAPT 3777/4885L3MBTL1 692/4885

“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.