SCHEMBL4914229

SCHEMBL4914229

O=C(NO)c1nccc2ncn(Cc3ccc(F)cc3F)c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.48
PPARG P37231 5/20 0.44
HDAC1 Q13547 9/20 0.39
HDAC4 P56524 5/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC2 Q92769 3/20 0.39
MAOB P27338 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
GPR6 P46095 1/20 0.36
FSCN1 Q16658 1/20 0.36

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
SCHEMBL4913900 0.82 HDAC6 (0.48) HDAC6PPARGHDAC1HDAC4HDAC7
SCHEMBL4911372 0.79 HDAC1 (0.36) HDAC6PPARGHDAC1HDAC4HDAC7
SCHEMBL1684141 0.76 HDAC6 (0.53) HDAC6PPARGHDAC1HDAC4HDAC7
SCHEMBL2945762 0.76 PPARG (0.51) HDAC6PPARGHDAC1HDAC4HDAC7
SCHEMBL4914468 0.75 PPARG (0.40) HDAC6PPARGHDAC1HDAC8FSCN1
SCHEMBL4903870 0.72 CYP2C19 (0.44) HDAC6PPARG
SCHEMBL5832076 0.71 MMP13 (0.45) HDAC6HDAC1HDAC4HDAC7HDAC11
SCHEMBL4903920 0.70 HSP90AA1 (0.47)
SCHEMBL2950141 0.69 PPARG (0.45) HDAC6PPARGHDAC1HDAC4HDAC7
SCHEMBL4909246 0.68 EGLN1 (0.44) HDAC6HDAC1HDAC4HDAC7HDAC11

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 claimed

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 570/4885PPARG 2781/4885HDAC1 18/4885

“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.