SCHEMBL4303909

SCHEMBL4303909

CCOc1ccc(C(=O)NC(C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
DGAT1 O75907 2/20 0.52
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PLK1 P53350 1/20 0.49
ACACB O00763 2/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4300221 0.85 RAB9A (0.58) MEN1KMT2ANPSR1HPGDTAS1R3
SCHEMBL6266664 0.83 SYK (0.51) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL6094225 0.83 SYK (0.51) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL10287161 0.81 NPC1 (0.48) MEN1KMT2ARAB9ANPC1EPHX2
SCHEMBL13825452 0.80 MEN1 (0.51) MEN1KMT2ARAB9ANPC1ACACB
SCHEMBL13611517 0.79 PLK1 (0.52) MEN1KMT2ANPSR1HPGDTAS1R3
SCHEMBL13459410 0.79 NPC1 (0.76) NPSR1HPGDRAB9ANPC1PLK1
SCHEMBL12380408 0.78 MEN1 (0.49) MEN1KMT2ARAB9ANPC1ACACB
SCHEMBL10294829 0.77 NPSR1 (0.72) MEN1KMT2ANPSR1HPGDTAS1R3
SCHEMBL13366141 0.77 RAB9A (0.54) MEN1KMT2ANPSR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778305-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-15 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 MEN1 4145/4885KMT2A 710/4885NPSR1 3199/4885

“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.