SCHEMBL4914461

SCHEMBL4914461

O=C(NO)c1c(COCc2ccccc2)c2ccncc2n1Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
ROCK2 O75116 2/20 0.39
HDAC2 Q92769 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PPARG P37231 2/20 0.37
KCNA5 P22460 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
AR P10275 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4911360 0.81 ROCK2 (0.37) HDAC6HDAC1HDAC8ROCK2HDAC2
SCHEMBL4914468 0.71 PPARG (0.40) HDAC6HDAC1HDAC8PPARGKCNA5
SCHEMBL1684192 0.71 PPARG (0.41) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4914226 0.70 HDAC3 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL4913896 0.68 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL5851549 0.66 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL4911253 0.66 KCNA5 (0.35) ROCK2KCNA5LRRK2ARGRM5
SCHEMBL4161048 0.64 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL2945177 0.64 HDAC1 (0.41) HDAC6HDAC1HDAC8HDAC2HDAC11
SCHEMBL1684245 0.64 PPARG (0.55) PPARG

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 570/4885HDAC1 18/4885HDAC8 156/4885

“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.