SCHEMBL5576891

SCHEMBL5576891

CC(C)(C)Cn1c(C(=O)O)c(N)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
DPP4 P27487 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
ELANE P08246 1/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 3/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PGR P06401 3/20 0.37
MAPK8 P45983 1/20 0.37
NPY5R Q15761 1/20 0.37
RORA P35398 2/20 0.36
RORC P51449 2/20 0.36
RORB Q92753 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 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
SCHEMBL5576858 0.84 MAPT (0.43) MAPTDPP4PTGDR2KDM4ERCE1
SCHEMBL5231036 0.76 L3MBTL1 (0.43) MAPTKDM4EL3MBTL1TDP1PGR
SCHEMBL5237464 0.76 ALDH1A1 (0.43) MAPTDPP4KDM4EL3MBTL1TDP1
SCHEMBL5276033 0.70 KDM4E (0.52) MAPTNPC1KDM4ETSHRSMN1; SMN2
SCHEMBL28283556 0.69 FOLH1 (0.62) MAPTKDM4ESMN1; SMN2POLB
SCHEMBL5576576 0.68 PTGDR2 (0.41) MAPTDPP4PTGDR2KDM4ETDP1
SCHEMBL5576873 0.68 DPP4 (0.36) DPP4POLB
SCHEMBL12933330 0.66 MEN1 (0.62) KDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL12933335 0.66 PGR (0.57) KDM4ERCE1SMN1; SMN2HSD17B10PGR
SCHEMBL5576340 0.65 CCR2 (0.46) MAPTDPP4KDM4ETSHRHSD17B10

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR MAPT 4733/4885DPP4 3633/4885PTGDR2 440/4885

“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.