SCHEMBL4153988

SCHEMBL4153988

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCCc1c[nH]c2ccccc12)c1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
PADI4 Q9UM07 1/20 0.44
PADI2 Q9Y2J8 1/20 0.44
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CTSC P53634 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NMBR P28336 1/20 0.41
ATM Q13315 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL4159925 0.78 KMT2A (0.45) MEN1KMT2ACTSCUSP2ALDH1A1
SCHEMBL4166182 0.75 PADI4 (0.48) NAMPTPADI4PADI2SMN1; SMN2ALDH1A1
SCHEMBL4154125 0.75 PADI4 (0.41) PADI4PADI2MEN1KMT2ASMN1; SMN2
SCHEMBL4174326 0.71 KMT2A (0.52) CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL6017927 0.70 CXCR4 (0.49) NAMPTMEN1KMT2ACDK4CCND1
SCHEMBL5459439 0.69 SIRT1 (0.61) NAMPTTRPV1MEN1KMT2ACDK4
SCHEMBL5459435 0.69 SIRT1 (0.61) NAMPTTRPV1MEN1KMT2ACDK4
SCHEMBL9387573 0.68 CCKAR (0.56) CDK4CCND1
SCHEMBL9387555 0.68 CCKAR (0.56) CDK4CCND1
SCHEMBL5118884 0.68 HDAC1 (0.71) PADI4PADI2ATM

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 L3MBTL1 3032/4885NAMPT 487/4885TRPV1 3401/4885

“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.