SCHEMBL4925550

SCHEMBL4925550

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
ALDH3A1 P30838 1/20 0.41
MAPK1 P28482 3/20 0.40
EPAS1 Q99814 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 1/20 0.40
MERTK Q12866 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALPG P10696 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 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
SCHEMBL4926422 0.89 L3MBTL1 (0.49) L3MBTL1MAPTLMNAMAPK1EPAS1
SCHEMBL4928466 0.81 MAPT (0.51) L3MBTL1MAPTLMNAMAPK1EPAS1
SCHEMBL4930639 0.80 L3MBTL1 (0.62) L3MBTL1MAPTLMNAMAPK1EPAS1
SCHEMBL4744863 0.80 MAPT (0.64) L3MBTL1MAPTLMNAALDH3A1MAPK1
SCHEMBL4922797 0.79 L3MBTL1 (0.63) L3MBTL1MAPTLMNAALDH3A1MAPK1
SCHEMBL4931560 0.79 TRPV1 (0.38) MAPTLMNATDP1ALDH1A1MEN1
SCHEMBL2211997 0.78 L3MBTL1 (0.56) L3MBTL1MAPTLMNAALDH3A1MAPK1
SCHEMBL11126150 0.77 MAPT (0.55) L3MBTL1MAPTLMNAALDH3A1MAPK1
SCHEMBL4932353 0.77 MEN1 (0.60) L3MBTL1MAPTLMNAMAPK1TDP1
SCHEMBL11119652 0.77 MEN1 (0.49) L3MBTL1MAPTLMNAALDH3A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 L3MBTL1 4264/4885MAPT 4574/4885LMNA 4744/4885

“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.