SCHEMBL4083639

SCHEMBL4083639

Nc1cc(C(F)(F)F)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
KEAP1 Q14145 1/20 0.45
HPRT1 P00492 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.41
MAPK1 P28482 1/20 0.41
BACE1 P56817 2/20 0.41
PTPN5 P54829 1/20 0.39
P2RX1 P51575 2/20 0.38

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
SCHEMBL295299 0.80 ALDH1A1 (0.45) ALDH1A1TSHRHPGDHSD17B10CYP3A4
SCHEMBL4074888 0.78 TSHR (0.48) ALDH1A1TSHRHPGDHSD17B10CYP3A4
SCHEMBL28566833 0.77 ALDH1A1 (0.42) ALDH1A1TSHRHPGDHSD17B10CYP3A4
SCHEMBL31036112 0.76 PTPN1 (0.41) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL7670971 0.76 PTPN1 (0.41) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL7306047 0.76 PTPN1 (0.45) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL7306054 0.76 PTPN1 (0.67) ALDH1A1TSHRKDM4EMAPTPTPN1
SCHEMBL5656993 0.74 CYP1A2 (0.49) CYP3A4KDM4EBACE1KIF11POLB
SCHEMBL30218963 0.74 CYP1A2 (0.49) CYP3A4KDM4EBACE1KIF11POLB
SCHEMBL5383334 0.74 HPRT1 (0.54) ALDH1A1TSHRHPGDHSD17B10CYP3A4

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 1571/4885TSHR 440/4885HPGD 580/4885

“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.