SCHEMBL4083545

SCHEMBL4083545

Nc1cccc2c(OC(F)(F)F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
IDO1 P14902 2/20 0.42
NR4A2 P43354 1/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KEAP1 Q14145 1/20 0.40
MPL P40238 1/20 0.40
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 1/20 0.36
PARP1 P09874 1/20 0.36
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4083989 0.88 IDO1 (0.57) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL2848722 0.79 MPL (0.41) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL112134 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4KDM4EMPL
SCHEMBL29893374 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4KDM4EMPL
SCHEMBL12480337 0.78 MPL (0.51) ALDH1A1HPGDTDP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL4379610 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4KDM4EMPL
Hydrochloric Acid SCHEMBL12481297 0.76 MPL (0.50) ALDH1A1TDP1KDM4EMPLMAPT
SCHEMBL7937713 0.76 MPL (0.40) ALDH1A1TDP1CYP3A4TSHRNR4A2
SCHEMBL3120591 0.75 KDM4E (0.53) ALDH1A1HPGDTDP1TSHRHSD17B10
SCHEMBL4078653 0.74 MPL (0.42) ALDH1A1HPGDTDP1CYP3A4TSHR

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 ALDH1A1 1571/4885HPGD 580/4885TDP1 3815/4885

“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.