SCHEMBL4897384

SCHEMBL4897384

CCN(CC)CCCNC(=O)c1cc2cc(Oc3ccc(-c4cc(C(F)(F)F)c(C#N)c(=O)n4Cc4ccc(C)cc4C)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
NR4A1 P22736 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4905197 0.94 RXRA (0.45) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4904862 0.92 RXRA (0.47) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4897439 0.92 RXRA (0.47) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4897266 0.91 RXRA (0.49) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4902545 0.87 RXRA (0.47) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4904411 0.87 RXRA (0.48) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4905078 0.86 RXRA (0.46) RXRANR1H2NR1H3KMT2AKDM4E
SCHEMBL4897578 0.86 RXRA (0.53) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL2387472 0.85 RXRA (0.49) RXRANR1H2NR1H3KMT2AMAPT
SCHEMBL4904765 0.85 RXRA (0.49) RXRANR1H2NR1H3KMT2AMAPT

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-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.