SCHEMBL4074876

SCHEMBL4074876

Nc1cccc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
CYP3A4 P08684 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
KEAP1 Q14145 1/20 0.44
GAA P10253 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL4079334 0.86 F2 (0.45) KIF11CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL4074885 0.81 KIF11 (0.42) KIF11CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL16289917 0.79 KIF11 (0.45) KIF11CYP3A4HSD17B10GAANPC1
SCHEMBL16289920 0.79 CYP1A2 (0.52) KIF11CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL34471894 0.78 CA1 (0.43) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL6808166 0.78 CA1 (0.43) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL17288377 0.77 KIF11 (0.43) KIF11CYP3A4HSD17B10GAANPC1
SCHEMBL1806698 0.77 CYP1A2 (0.55) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL30881789 0.77 CYP1A2 (0.55) CYP3A4HSD17B10ALDH1A1HPGDTSHR
SCHEMBL8386584 0.76 ALDH1A1 (0.44) 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.