SCHEMBL4083989

SCHEMBL4083989

Nc1ccc(OC(F)(F)F)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
EP300 Q09472 2/20 0.55
KAT8 Q9H7Z6 2/20 0.55
HDAC3 O15379 1/20 0.42
KAT2B Q92831 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
EPHX2 P34913 1/20 0.36
KEAP1 Q14145 2/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL4083545 0.88 ALDH1A1 (0.52) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL27699096 0.80 IDO1 (0.62) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL4687323 0.76 IDO1 (0.68) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL13992015 0.76 EPHX2 (0.36) ALDH1A1EPHX2L3MBTL1KIF11KDM4E
SCHEMBL15537453 0.76 PKM (0.45) EPHX2MAPTL3MBTL1KIF11KDM4E
SCHEMBL16852474 0.76 CYP1A2 (0.52) IDO1EP300KAT8ALDH1A1TSHR
SCHEMBL27526979 0.76 EPHX2 (0.39) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL31179075 0.75 HSP90AA1 (0.51) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL29893374 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1CRHBPCRHR2
SCHEMBL112134 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1CRHBPCRHR2

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-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 IDO1 600/4885EP300 1212/4885KAT8 2260/4885

“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.