SCHEMBL4749064

SCHEMBL4749064

CN1CCn2cc(C(=O)NCc3ccc(F)c(Cl)c3)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALK Q9UM73 1/20 0.40
FSCN1 Q16658 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER4 P35408 1/20 0.39
PDE5A O76074 3/20 0.39
S1PR3 Q99500 1/20 0.38
APEX1 P27695 1/20 0.38
LIPG Q9Y5X9 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL4748890 0.82 S1PR3 (0.41) ALKFSCN1PTGER4PDE5AS1PR3
SCHEMBL3994775 0.78 GLRA1 (0.41) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL5124464 0.78 GRM5 (0.41) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL3982506 0.73 KDM4E (0.41) MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL4321093 0.73 SCD (0.41) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3983699 0.72 POLB (0.39) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4321634 0.72 SCD (0.38) MAPK1LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14129781 0.71 SCD (0.39) LMNAL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4321812 0.71 LMNA (0.41) LMNAL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4323210 0.71 LMNA (0.41) LMNAL3MBTL1SMN1; SMN2ALDH1A1HPGD

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-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP MAPK1 790/4885LMNA 2784/4885MAPT 4297/4885

“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.