SCHEMBL4357362

SCHEMBL4357362

COc1ccc(C(=O)NC(c2ccccc2)C2(N(C)C)CCCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
STAT6 P42226 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC25B P30305 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.42
HPGDS O60760 1/20 0.41
SLC6A9 P48067 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.36
TACR3 P29371 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL3237710 0.87 ALDH1A1 (0.42) ALDH1A1CYP2C9MAPTHPGDSLC6A9
SCHEMBL3238270 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSLC6A9KMT2AMEN1
SCHEMBL3257622 0.86 ALDH1A1 (0.38) PLK1ALDH1A1CYP2C9MAPTLMNA
SCHEMBL4356991 0.85 SCN9A (0.49) MAPTLMNAHTTNPSR1HPGD
SCHEMBL4355261 0.85 CXCR5 (0.44) LMNAHPGDSLC6A9KMT2AMEN1
SCHEMBL4359374 0.84 SLC6A9 (0.41) MAPTLMNAHTTNPSR1HPGD
SCHEMBL3237145 0.83 AVPR2 (0.43) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL3239737 0.83 POLB (0.47) ALDH1A1CYP2C9CYP1A2HSD17B10MAPT
SCHEMBL3236119 0.83 NR1H4 (0.45) ALDH1A1CYP3A4LMNANPSR1HPGD
SCHEMBL3238721 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSLC6A9KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT PLK1 968/4885ALDH1A1 132/4885CYP2C9 908/4885

“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.