SCHEMBL4318233

SCHEMBL4318233

O=C(O)c1cc2ccc([C@@H](F)C(=O)NCc3cccnc3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.42
HDAC1 Q13547 1/20 0.41
SORT1 Q99523 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TBXAS1 P24557 1/20 0.41
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL3572718 1.00 PKM (0.46) PKMKMT2ASMN1; SMN2LMNAHPGD
SCHEMBL3574611 0.88 HDAC1 (0.52) NAMPTL3MBTL1HDAC1F9F10
SCHEMBL3572720 0.81 HDAC1 (0.42) KMT2ASMN1; SMN2HDAC1TBXAS1
SCHEMBL3576583 0.75 ALDH1A1 (0.40) LMNA
SCHEMBL3573993 0.74 BCL2L1 (0.45) HDAC1TBXAS1
SCHEMBL3562088 0.74 BCL2L1 (0.49) HDAC1NPSR1
SCHEMBL3578898 0.73 HDAC1 (0.53) NAMPTHDAC1CYP3A4
SCHEMBL3566904 0.71 BCL2L1 (0.46) KMT2AHDAC1
SCHEMBL3566027 0.71 BCL2L1 (0.46) HDAC1
SCHEMBL3566907 0.71 BCL2L1 (0.46) KMT2AHDAC1

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-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 PKM 3468/4885KMT2A 27/4885SMN1; SMN2 1013/4885

“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.