SCHEMBL4911372

SCHEMBL4911372

C=CCc1cn(Cc2ccc(F)cc2F)c2c(C(=O)NO)nccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
FSCN1 Q16658 1/20 0.36
HDAC6 Q9UBN7 8/20 0.36
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 2/20 0.35
MET P08581 1/20 0.34
PPARG P37231 4/20 0.33
PTGER3 P43115 1/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
HDAC2 Q92769 1/20 0.33
GRM4 Q14833 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
SCHEMBL4914468 0.81 PPARG (0.40) HDAC1FSCN1HDAC6PPARGHDAC8
SCHEMBL1684175 0.79 HDAC1 (0.38) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL4914229 0.79 HDAC6 (0.48) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL4913900 0.72 HDAC6 (0.48) HDAC1HDAC6HDAC4HDAC7PPARG
SCHEMBL4911360 0.69 ROCK2 (0.37) HDAC1HDAC6HDAC4HDAC7PPARG
SCHEMBL2949469 0.66 FSCN1 (0.42) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL4161051 0.66 RAB9A (0.40) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL2950141 0.66 PPARG (0.45) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL2943245 0.66 FSCN1 (0.42) HDAC1FSCN1HDAC6HDAC4HDAC7
SCHEMBL4932344 0.65 HDAC6 (0.42) HDAC1FSCN1HDAC6HDAC4HDAC7

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 HDAC1 18/4885FSCN1 4791/4885HDAC6 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.