SCHEMBL443224

SCHEMBL443224

CC(C)c1nnc([C@H]2CC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.43
MEN1 O00255 10/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSK P43235 1/20 0.41
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TNKS O95271 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL443223 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1CTSKMAPT
SCHEMBL463715 0.83 MTNR1A (0.41) KMT2AMEN1ALDH1A1MAPTMTNR1A
SCHEMBL407315 0.82 MTNR1A (0.42) KMT2AMEN1ALDH1A1MAPTMTNR1A
SCHEMBL439231 0.82 MTNR1A (0.42) KMT2AMEN1ALDH1A1MAPTMTNR1A
Hydrochloric Acid SCHEMBL440113 0.81 MTNR1A (0.41) KMT2AMEN1ALDH1A1MAPTMTNR1A
Hydrochloric Acid SCHEMBL440114 0.81 MTNR1A (0.41) KMT2AMEN1ALDH1A1MAPTMTNR1A
SCHEMBL443067 0.80 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTMTNR1A
SCHEMBL443068 0.80 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTMTNR1A
SCHEMBL438515 0.80 LIPG (0.47) KMT2AALDH1A1CTSKTSHRHSD17B10
SCHEMBL441068 0.74 PKM (0.37) KMT2AMEN1CTSKNPSR1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KMT2A 667/4885MEN1 4411/4885ALDH1A1 272/4885

“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.