SCHEMBL20636723

SCHEMBL20636723

FC(F)(F)Oc1ccc(Oc2ccc(CBr)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
FAAH O00519 1/20 0.41
NR3C1 P04150 1/20 0.40
CETP P11597 1/20 0.40
DAO P14920 1/20 0.40
MAPT P10636 1/20 0.39
CHRM5 P08912 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL104233 0.94 ALDH1A1 (0.47) EPHX2ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL10078425 0.88 KIF11 (0.45) ALDH1A1TSHRSLC6A4
SCHEMBL508197 0.88 SLC6A4 (0.49) EPHX2ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL508826 0.83 CYP2D6 (0.41) ALDH1A1TSHRSLC6A4DAOBCHE
SCHEMBL508827 0.83 CYP2D6 (0.41) ALDH1A1TSHRSLC6A4DAOBCHE
SCHEMBL28780452 0.82 EPHX2 (0.50) EPHX2LTA4HALDH1A1TSHRMMP2
SCHEMBL5885219 0.82 ST14 (0.48) LTA4HALDH1A1TSHRMAPT
SCHEMBL2056132 0.82 TSHR (0.53) EPHX2LTA4HALDH1A1TSHRMMP2
SCHEMBL6002645 0.80 EPHX2 (0.44) EPHX2LTA4HALDH1A1TSHRMMP2
SCHEMBL922517 0.80 ST14 (0.61) EPHX2LTA4HALDH1A1TSHRMMP2

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-10781177-B2 Pyridine compound and use thereof NIPPON SODA CO., LTD. (JP) 2020-09-22 US disclosed
US-20190071403-A1 PYRIDINE COMPOUND AND USE THEREOF NIPPON SODA CO., LTD. (JP) 2019-03-07 US disclosed
EP-3428151-A1 PYRIDINE COMPOUND AND USE THEREOF Nippon Soda Co., Ltd. (JP) 2019-01-16 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 (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-10781177-B2 Pyridine compound and use thereof NOX1, NOXO1, NOX4 EPHX2 2286/4885LTA4H 1110/4885ALDH1A1 923/4885
US-20190071403-A1 PYRIDINE COMPOUND AND USE THEREOF NOX1, NOXO1, NOX4 EPHX2 2286/4885LTA4H 1110/4885ALDH1A1 923/4885

“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.