SCHEMBL4911360

SCHEMBL4911360

C=CCc1c(C(=O)NO)n(Cc2ccc(F)cc2F)c2cnccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GSK3B P49841 1/20 0.33
PPARG P37231 2/20 0.33
NTRK1 P04629 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 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
SCHEMBL4914461 0.81 HDAC6 (0.40) ROCK2HDAC1HDAC6HDAC7HDAC8
SCHEMBL4914226 0.73 HDAC3 (0.47) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL4913896 0.71 HDAC1 (0.47) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL4911372 0.69 HDAC1 (0.36) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL1684175 0.69 HDAC1 (0.38) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL4161048 0.65 HDAC6 (0.45) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL5851549 0.65 HDAC6 (0.46) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL2946969 0.62 PPARG (0.44) HDAC1HDAC6HDAC4HDAC3HDAC2
SCHEMBL4903864 0.62 BRD4 (0.42) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL2950141 0.61 PPARG (0.45) HDAC1HDAC6HDAC7HDAC8HDAC4

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 ROCK2 3099/4885HDAC1 18/4885HDAC6 570/4885

“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.