SCHEMBL4807252

SCHEMBL4807252

O=C(NO)c1cc2c(COC[C@H](O)CO)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
FSCN1 Q16658 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
PPARG P37231 7/20 0.35
HDAC1 Q13547 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.33
ALKBH1 Q13686 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
SCHEMBL4807264 1.00 MAPK14 (0.38) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL13986826 1.00 MAPK14 (0.38) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL4805550 0.90 FSCN1 (0.37) MAPK14FSCN1PPARGALKBH1
SCHEMBL4805539 0.90 FSCN1 (0.37) MAPK14FSCN1PPARGALKBH1
SCHEMBL2943244 0.87 FSCN1 (0.40) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL4805488 0.85 FSCN1 (0.39) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL2949469 0.85 FSCN1 (0.42) FSCN1HDAC6PPARGHDAC1HDAC4
SCHEMBL1684192 0.84 PPARG (0.41) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL4804543 0.84 FSCN1 (0.39) MAPK14FSCN1HDAC6PPARGHDAC1
SCHEMBL4932344 0.83 HDAC6 (0.42) FSCN1HDAC6PPARGHDAC1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAPK14 2647/4885FSCN1 4841/4885HDAC6 1926/4885

“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.