SCHEMBL718318

SCHEMBL718318

CC(C)Oc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NLRP3 Q96P20 1/20 0.39
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 3/20 0.36
RXRA P19793 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A3 P47895 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
LIPE Q05469 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32

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
SCHEMBL717945 0.86 MEN1 (0.47) MEN1KMT2ANLRP3POLBL3MBTL1
SCHEMBL27834204 0.81 RXRA (0.40) MEN1KMT2ANLRP3POLBL3MBTL1
SCHEMBL716051 0.81 POLB (0.44) MEN1KMT2ANLRP3POLBL3MBTL1
SCHEMBL716589 0.77 PTGS2 (0.42) MEN1KMT2ANLRP3POLBPTGS2
SCHEMBL719342 0.76 SLC5A1 (0.46) POLBTP53SMN1; SMN2SLC5A1SLC5A2
SCHEMBL717944 0.76 MEN1 (0.42) MEN1KMT2ANLRP3POLBL3MBTL1
SCHEMBL717325 0.72 GCGR (0.38) POLBRXRAGRIN1GRIN2BLIPE
SCHEMBL23928566 0.71 PTGS2 (0.69) MEN1KMT2ANLRP3POLBPTGS2
SCHEMBL16635554 0.70 KMT2A (0.43) MEN1KMT2ANLRP3POLBPTGS2
SCHEMBL17942224 0.69 ESR2 (0.38) MEN1KMT2APOLBL3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885

“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.