SCHEMBL4454941

SCHEMBL4454941

Nc1nn(-c2ccc(F)cc2)cc1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CDK2 P24941 4/20 0.38

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
SCHEMBL14312439 0.87 LMNA (0.49) HDAC1HDAC2KDM4EKMT2AMEN1
SCHEMBL2887260 0.86 HDAC1 (0.57) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL4456587 0.85 KDM4E (0.48) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL4454512 0.83 ADORA3 (0.48) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL14312270 0.82 MAPKAPK2 (0.54) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL8243030 0.80 HDAC1 (0.51) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL14312436 0.78 KDM4E (0.46) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL14312424 0.78 HDAC1 (0.41) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL5137092 0.78 HDAC1 (0.41) HDAC1HDAC2KDM4EMAPTKMT2A
SCHEMBL14312428 0.77 HDAC1 (0.41) HDAC1HDAC2KDM4EMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 5/4885KDM4E 97/4885

“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.