SCHEMBL4750000

SCHEMBL4750000

CN1CCn2c(c(OCc3ccccc3)c3c(=O)n(Cc4ccc(F)c(Cl)c4)cc(C(N)=O)c32)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 3/20 0.43
SCD O00767 1/20 0.40
ADRA1D P25100 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ICMT O60725 1/20 0.34
PREP P48147 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
TOP1 P11387 1/20 0.34
CHRM1 P11229 1/20 0.33
PDPK1 O15530 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
DRD4 P21917 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
SCHEMBL4746270 0.88 SCD (0.40) FSCN1SCDNPSR1SMN1; SMN2DRD4
SCHEMBL4746117 0.85 FSCN1 (0.42) FSCN1ADRA1DICMTCHRM1GPR52
SCHEMBL5117670 0.84 CHRM1 (0.44) FSCN1TOP1CHRM1PDPK1
SCHEMBL5113909 0.82 SMN1; SMN2 (0.42) FSCN1SMN1; SMN2KDM4ETOP1
SCHEMBL3985667 0.81 SCD (0.39) FSCN1SCDPREPSMN1; SMN2KDM4E
SCHEMBL3983623 0.80 SCD (0.38) FSCN1SCDSMN1; SMN2
SCHEMBL3987007 0.79 SCD (0.38) FSCN1SCDSMN1; SMN2DRD4
SCHEMBL3985345 0.79 SCD (0.37) FSCN1SCDNPSR1DRD4
SCHEMBL3983704 0.77 SCD (0.36) FSCN1SCDNPSR1SMN1; SMN2DRD4
SCHEMBL4743539 0.77 FSCN1 (0.43) FSCN1SMN1; SMN2CHRM1PDPK1

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 FSCN1 4879/4885SCD 2922/4885ADRA1D 1076/4885

“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.