SCHEMBL4074885

SCHEMBL4074885

Nc1cc(OC(F)(F)F)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KEAP1 Q14145 1/20 0.41
HPRT1 P00492 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37

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 0.81 KIF11 (0.45) KIF11CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL29951136 0.76 ACP1 (0.41) KIF11ACP1SLC40A1METAP2GPR3
SCHEMBL1408749 0.76 CYP1A2 (0.52) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL11972895 0.73 SLC40A1 (0.53) CYP3A4HSD17B10TSHRNPC1RAB9A
SCHEMBL2723529 0.72 CYP1A2 (0.52) KIF11CYP3A4HSD17B10NPC1RAB9A
SCHEMBL17816158 0.72 CYP1A2 (0.52) KIF11CYP3A4HSD17B10NPC1RAB9A
SCHEMBL293052 0.72 AGXT (0.41) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL4083639 0.72 ALDH1A1 (0.45) KIF11CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL293760 0.71 CYP3A4 (0.46) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL28799309 0.71 ALDH1A1 (0.41) CYP3A4HSD17B10ALDH1A1HPGDTSHR

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 KIF11 3026/4885CYP3A4 95/4885HSD17B10 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.