SCHEMBL4082855

SCHEMBL4082855

Nc1cccc2c(C(F)(F)F)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
NR4A2 P43354 1/20 0.46
KEAP1 Q14145 1/20 0.44
AXL P30530 1/20 0.41
KIF11 P52732 1/20 0.41
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
PARP1 P09874 2/20 0.39
MAPT P10636 2/20 0.39
TTR P02766 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL21409791 0.87 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL3601537 0.86 IDO1 (0.46) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL8598354 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL12310598 0.80 AXL (0.47) ALDH1A1HPGDHSD17B10TDP1AXL
SCHEMBL12473229 0.80 AXL (0.47) ALDH1A1HPGDHSD17B10TDP1AXL
SCHEMBL13845098 0.77 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL27912581 0.77 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL48843 0.77 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL29365003 0.77 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL476347 0.76 CD44 (0.42) ALDH1A1HPGDHSD17B10TDP1CYP3A4

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 4 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
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US 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 580/4885HSD17B10 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.