SCHEMBL4913900

SCHEMBL4913900

O=C(NO)c1nccc2c1ncn2Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.48
EGLN1 Q9GZT9 4/20 0.47
PPARG P37231 5/20 0.44
HDAC1 Q13547 6/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SLC29A1 Q99808 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
SCHEMBL4903870 0.86 CYP2C19 (0.44) HDAC6EGLN1PPARGCYP2C19SLC29A1
SCHEMBL4914229 0.82 HDAC6 (0.48) HDAC6PPARGHDAC1HDAC7HDAC4
SCHEMBL1684141 0.76 HDAC6 (0.53) HDAC6PPARGHDAC1HDAC7HDAC4
SCHEMBL2945762 0.76 PPARG (0.51) HDAC6PPARGHDAC1CYP2C19HDAC7
SCHEMBL4911372 0.72 HDAC1 (0.36) HDAC6PPARGHDAC1HDAC7HDAC4
SCHEMBL2950141 0.71 PPARG (0.45) HDAC6PPARGHDAC1HDAC7HDAC4
SCHEMBL4914468 0.69 PPARG (0.40) HDAC6PPARGHDAC1HDAC8
SCHEMBL4904745 0.69 EGLN1 (0.53) EGLN1
SCHEMBL1684191 0.69 PPARG (0.52) HDAC6PPARGHDAC1HDAC7HDAC4
SCHEMBL2946969 0.68 PPARG (0.44) HDAC6PPARGHDAC1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB HDAC6 570/4885EGLN1 311/4885PPARG 2781/4885

“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.