SCHEMBL4205249

SCHEMBL4205249

CN(C)CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.61
HDAC3 O15379 5/20 0.59
HDAC4 P56524 5/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC7 Q8WUI4 5/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC10 Q969S8 5/20 0.59
HDAC11 Q96DB2 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
HDAC9 Q9UKV0 5/20 0.59
HDAC5 Q9UQL6 5/20 0.59
GSK3B P49841 2/20 0.59
KDR P35968 7/20 0.58
BRAF P15056 4/20 0.58
PDGFRB P09619 3/20 0.56
ARAF P10398 2/20 0.56
MAPK3 P27361 2/20 0.56
CDK8 P49336 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL13945873 0.93 KDR (0.60) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4205631 0.91 HDAC3 (0.63) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13945992 0.89 KDR (0.57) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4211620 0.86 RAF1 (0.75) RAF1GSK3BKDRBRAFPDGFRB
SCHEMBL13945963 0.85 KDR (0.74) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4211096 0.84 KDR (0.64) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4201606 0.84 KDR (0.63) RAF1GSK3BKDRBRAFPDGFRB
SCHEMBL13945863 0.83 KDR (0.64) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13945989 0.82 KDR (0.55) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3405252 0.81 RET (0.75) RAF1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 US disclosed
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 US disclosed
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 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-20090012091-A1 Oximide derivatives and their therapeutical application CYP11B2, NOS2, HMOX2 RAF1 3755/4885HDAC3 2143/4885HDAC4 1750/4885

“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.