SCHEMBL3047220

SCHEMBL3047220

Cc1cccc(C(=O)N(C)[C@H](CC(N)=O)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PARP1 P09874 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
VNN1 O95497 1/20 0.39
LPAR1 Q92633 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL3044603 1.00 TDP1 (0.45) TDP1HPGDL3MBTL1KMT2AMEN1
SCHEMBL3058420 0.90 BACE1 (0.40) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL3045273 0.90 BACE1 (0.40) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL3045269 0.88 HTR1A (0.44) HPGDL3MBTL1KMT2AMEN1HCRTR1
SCHEMBL3058401 0.88 HTR1A (0.44) HPGDL3MBTL1KMT2AMEN1HCRTR1
SCHEMBL3059936 0.88 HTR1A (0.44) HPGDL3MBTL1KMT2AMEN1HCRTR1
SCHEMBL3040831 0.87 KMT2A (0.43) HPGDL3MBTL1KMT2AMEN1PARP1
SCHEMBL3041057 0.87 KMT2A (0.43) HPGDL3MBTL1KMT2AMEN1PARP1
SCHEMBL3044608 0.85 HCRTR1 (0.45) TDP1HPGDL3MBTL1KMT2AMEN1
SCHEMBL3047223 0.85 HCRTR1 (0.45) TDP1HPGDL3MBTL1KMT2AMEN1

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 TDP1 1379/4885HPGD 756/4885L3MBTL1 4048/4885

“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.