SCHEMBL4932344

SCHEMBL4932344

O=C(NO)c1cc2c(CCO)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 1/20 0.40
FSCN1 Q16658 1/20 0.39
NTRK1 P04629 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.36
PPARG P37231 6/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
MET P08581 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL2949469 0.92 FSCN1 (0.42) HDAC6HDAC1HDAC7FSCN1NTRK1
SCHEMBL2943245 0.90 FSCN1 (0.42) HDAC6HDAC10HDAC1HDAC7FSCN1
SCHEMBL2943251 0.89 PPARG (0.43) HDAC6HDAC10HDAC1FSCN1HDAC4
SCHEMBL4801984 0.89 HDAC1 (0.37) HDAC6HDAC1HDAC7FSCN1NTRK1
SCHEMBL2945087 0.87 PPARG (0.42) HDAC6HDAC10HDAC1HDAC7FSCN1
SCHEMBL1684175 0.86 HDAC1 (0.38) HDAC6HDAC10HDAC1HDAC7FSCN1
SCHEMBL2943310 0.86 HDAC1 (0.44) HDAC6HDAC10HDAC1HDAC7FSCN1
SCHEMBL2951370 0.86 FSCN1 (0.42) HDAC6HDAC10HDAC1HDAC7FSCN1
SCHEMBL4811553 0.85 ICMT (0.40) HDAC6HDAC1HDAC7FSCN1NTRK1
SCHEMBL2943244 0.85 FSCN1 (0.40) HDAC6HDAC1HDAC7FSCN1MEN1

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 570/4885HDAC10 104/4885HDAC1 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.