SCHEMBL4805048

SCHEMBL4805048

O=C(NO)c1cc2c(cn1)c(Cc1ccc(F)cc1)cn2Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.50
HDAC1 Q13547 6/20 0.50
HDAC8 Q9BY41 5/20 0.50
CNR2 P34972 2/20 0.42
MMP13 P45452 1/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC10 Q969S8 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
BRD4 O60885 1/20 0.40
PRNP P04156 1/20 0.39

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
SCHEMBL4808877 0.88 THRB (0.43) HDAC6HDAC1HDAC8MMP13HDAC2
SCHEMBL13778770 0.87 POLB (0.48) HDAC6HDAC1HDAC8CNR2MEN1
SCHEMBL4806653 0.81 MMP13 (0.39) HDAC6HDAC1HDAC8CNR2MMP13
SCHEMBL14542133 0.79 MMP13 (0.44) HDAC6HDAC1HDAC8MMP13HDAC2
SCHEMBL1607636 0.77 HDAC6 (0.57) HDAC6HDAC1HDAC8MMP13HDAC2
SCHEMBL2945792 0.77 MAP3K5 (0.37) HDAC6HDAC1HDAC8CNR2HDAC2
SCHEMBL2951301 0.76 MMP1 (0.39) HDAC8MMP13MAOBMAPT
SCHEMBL1684129 0.76 POLB (0.42) HDAC6HDAC1HDAC8MMP13HDAC2
SCHEMBL5255421 0.76 HDAC3 (0.46) HDAC6HDAC1HDAC8MMP13HDAC2
SCHEMBL4805639 0.75 HDAC1 (0.52) HDAC6HDAC1HDAC8MMP13HDAC2

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 HDAC6 1926/4885HDAC1 626/4885HDAC8 2180/4885

“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.