SCHEMBL17700417

SCHEMBL17700417

CC(F)(F)Cc1cccnc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
TACR1 P25103 1/20 0.33
RBP4 P02753 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC13A5 Q86YT5 2/20 0.32
CETP P11597 4/20 0.31

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
SCHEMBL1353016 0.75 TRIM24 (0.41) KDM4EMAPTPOLBNAPRTL3MBTL1
SCHEMBL870085 0.75 KDM4E (0.36) KDM4EMAPTCYP1A2POLBNAPRT
SCHEMBL3398126 0.75 NAPRT (0.39) KDM4EMAPTCYP1A2POLBNAPRT
SCHEMBL2302256 0.74 KDM4E (0.42) KDM4EMAPTPOLBNAPRTL3MBTL1
SCHEMBL17817792 0.71 SMN1; SMN2 (0.44) KDM4EMAPTCYP1A2L3MBTL1MEN1
SCHEMBL238763 0.69 SMN1; SMN2 (0.46) KDM4EMAPTCYP1A2POLBNAPRT
SCHEMBL17700421 0.68 NAPRT (0.38) KDM4EPOLBNAPRTTACR1ALDH1A1
SCHEMBL345613 0.67 KDM4E (0.36) KDM4ENAPRT
SCHEMBL1819971 0.66 POLB (0.55) KDM4EPOLBNAPRTL3MBTL1MEN1
SCHEMBL5582871 0.66 KDM4E (0.36) KDM4EMAPTCYP1A2POLBNAPRT

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-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 KDM4E 662/4885MAPT 3476/4885CYP1A2 3765/4885

“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.