SCHEMBL4746332

SCHEMBL4746332

CN1CC(Cc2ccccc2)n2c3c(c(O)c2C1=O)C(=O)N(Cc1ccc(F)cc1)CC3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
AKR1B1 P15121 1/20 0.36
CLPP Q16740 1/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 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
SCHEMBL4751913 0.91 LMNA (0.39) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4751087 0.88 LMNA (0.38) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL14034176 0.86 GRM2 (0.38) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4747933 0.86 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4747877 0.79 AKR1B1 (0.40) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4746817 0.78 AKR1B1 (0.39) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4744312 0.77 KCNH2 (0.41) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4750328 0.76 AKR1B1 (0.39) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4744307 0.74 GRM2 (0.38) LMNASMN1; SMN2L3MBTL1NCOA3AKR1B1
SCHEMBL4747035 0.73 POLB (0.32) AKR1B1HTTALDH1A1MEN1KMT2A

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 9 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 claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US claimed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US claimed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP claimed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US 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
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US 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 LMNA 2784/4885SMN1; SMN2 3773/4885L3MBTL1 773/4885

“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.