SCHEMBL16633600

SCHEMBL16633600

CC(C)(C)N(C(=O)O)C(CN1C(=O)c2ccccc2C1=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE2A O00408 1/20 0.37
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
EPHX1 P07099 1/20 0.36
SERPINE1 P05121 1/20 0.36
CHRM5 P08912 1/20 0.36
ANXA2 P07355 1/20 0.36
S100A10 P60903 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL14910663 0.86 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATHRB
SCHEMBL14911308 0.86 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATHRB
SCHEMBL14910664 0.86 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATHRB
SCHEMBL2506939 0.82 FFAR1 (0.48) MMP2MMP9KMT2AMEN1NPC1
SCHEMBL16633119 0.79 SLC6A4 (0.47) KMT2AMEN1OPRM1OPRK1
SCHEMBL16633980 0.79 ALDH1A1 (0.41) MMP2MMP9PDE2AEPHX1SERPINE1
SCHEMBL16634078 0.78 EPHX1 (0.40) MMP2MMP9PDE2AEPHX1SERPINE1
SCHEMBL16633204 0.77 MMP2 (0.40) MMP2MMP9OPRM1PDE2AEPHX1
SCHEMBL14910738 0.77 KMT2A (0.43) MMP2MMP9KMT2AMEN1NPC1
SCHEMBL14910736 0.77 KMT2A (0.43) MMP2MMP9KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MMP2 860/4885MMP9 474/4885KMT2A 262/4885

“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.