SCHEMBL4079334

SCHEMBL4079334

Nc1cccc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4074876 0.86 KIF11 (0.45) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL24163599 0.80 F2 (0.42) F2PLGPLAUPLATKLK1
SCHEMBL7358534 0.78 HTR1A (0.44) F2PLGPLAUPLATKLK1
SCHEMBL30380710 0.78 HTR1A (0.44) F2PLGPLAUPLATKLK1
SCHEMBL29792825 0.77 CYP1A2 (0.55) F2PLGPLAUPLATKLK1
SCHEMBL249717 0.77 CYP1A2 (0.55) F2PLGPLAUPLATKLK1
SCHEMBL29956515 0.76 TRPV1 (0.43) KIF11TRPV1GPR3
SCHEMBL2723529 0.75 CYP1A2 (0.52) CYP3A4HSD17B10NPC1RAB9AGAA
SCHEMBL17816158 0.75 CYP1A2 (0.52) CYP3A4HSD17B10NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL10993696 0.75 CYP1A2 (0.53) F2PLGPLAUPLATKLK1

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 F2 188/4885PLG 1570/4885PLAU 4363/4885

“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.