SCHEMBL4168646

SCHEMBL4168646

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc1ccc2ccccc2c1)c1ccc2nccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.48
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
PIN1 Q13526 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
MCHR1 Q99705 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.38
CCKBR P32239 1/20 0.38
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37

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
SCHEMBL4165005 0.87 ALDH1A1 (0.41) HDAC1PADI4PADI2SMN1; SMN2MEN1
SCHEMBL4154125 0.86 PADI4 (0.41) HDAC1PADI4PADI2SMN1; SMN2MEN1
SCHEMBL4159149 0.85 ALDH1A1 (0.52) HDAC1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL4166182 0.79 PADI4 (0.48) HDAC1PADI4PADI2SMN1; SMN2ALDH1A1
SCHEMBL5130144 0.78 HDAC1 (0.59) HDAC1PADI4PADI2SMN1; SMN2MAPT
SCHEMBL4153988 0.76 L3MBTL1 (0.47) PADI4PADI2SMN1; SMN2MEN1KMT2A
SCHEMBL4158976 0.73 HDAC4 (0.53) HDAC1MEN1HTTKMT2AALDH1A1
SCHEMBL4159631 0.72 HDAC4 (0.47) HDAC1MEN1HTTKMT2AMAPT
SCHEMBL4606757 0.71 HDAC1 (0.41) HDAC1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL4162559 0.71 ALDH1A1 (0.41) HDAC1SMN1; SMN2KMT2AALDH1A1NPC1

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 HDAC1 2/4885PADI4 374/4885PADI2 495/4885

“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.