SCHEMBL13312263

SCHEMBL13312263

CC(=O)c1cc(-c2cccnc2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.73
DHODH Q02127 1/20 0.72
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KDM4E B2RXH2 3/20 0.63
LMNA P02545 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPC1 O15118 1/20 0.62
THRB P10828 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
TP53 P04637 1/20 0.61
PDE10A Q9Y233 1/20 0.60
MAPT P10636 3/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.58

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
SCHEMBL1901619 0.89 DHODH (0.90) CYP2C9DHODHKMT2AALDH1A1MEN1
SCHEMBL6209856 0.88 KDM4E (0.76) DHODHKMT2AMEN1KDM4ELMNA
SCHEMBL30604089 0.86 KMT2A (0.73) CYP2C9DHODHKMT2AALDH1A1MEN1
SCHEMBL17308320 0.86 KMT2A (0.73) CYP2C9DHODHKMT2AALDH1A1MEN1
SCHEMBL13312206 0.86 DHODH (0.74) CYP2C9DHODHKMT2AMEN1KDM4E
SCHEMBL17348467 0.83 KDM4E (0.62) CYP2C9DHODHKMT2AMEN1KDM4E
SCHEMBL7479593 0.82 DHODH (0.81) CYP2C9DHODHKMT2AALDH1A1MEN1
SCHEMBL13312211 0.80 POLB (0.78) DHODHKMT2AALDH1A1MEN1KDM4E
SCHEMBL4854898 0.80 DHODH (0.63) CYP2C9DHODHKMT2AALDH1A1MEN1
SCHEMBL25775237 0.80 KMT2A (0.65) DHODHKMT2AALDH1A1MEN1KDM4E

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC CYP2C9 1717/4885DHODH 1867/4885KMT2A 3284/4885

“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.