SCHEMBL4076381

SCHEMBL4076381

Nc1c(OC(F)(F)F)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 2/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38
KEAP1 Q14145 1/20 0.38
HPRT1 P00492 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP17A1 P05093 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
SCHEMBL5610532 0.78 MAPT (0.40) NCEH1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL26375264 0.78 NCEH1 (0.49) NCEH1ALDH1A1HSD17B10MAPTHPGD
SCHEMBL24150092 0.77 HRH4 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3120591 0.76 KDM4E (0.53) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL1805110 0.75 MAPT (0.64) NCEH1ALDH1A1HSD17B10MAPTHPGD
SCHEMBL29112147 0.74 HPRT1 (0.52) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL21871919 0.74 NCEH1 (0.52) NCEH1ALDH1A1HSD17B10MAPTMEN1
SCHEMBL21872049 0.74 NCEH1 (0.52) NCEH1MAPTMEN1KMT2AKDM4E
SCHEMBL29954753 0.74 MAPT (0.37) NCEH1ALDH1A1HSD17B10MAPTHPGD
SCHEMBL28083133 0.73 MPL (0.45) ALDH1A1MAPTKDM4EGAAL3MBTL1

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 NCEH1 2321/4885ALDH1A1 1571/4885HSD17B10 1357/4885

“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.