SCHEMBL15420479

SCHEMBL15420479

O=C(O)N[C@H]1CCOC[C@@H]1COc1ccc(-n2cc(Cl)cn2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 5/20 0.38
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CHEK1 O14757 1/20 0.33
HCRTR2 O43614 1/20 0.32
CHRM1 P11229 7/20 0.32
MELK Q14680 1/20 0.32
KAT5 Q92993 1/20 0.32
ATR Q13535 2/20 0.31
PTGER1 P34995 1/20 0.31

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
SCHEMBL15420309 0.86 CYP46A1 (0.38) CYP46A1MAPK8MAPK9MAPK10CHRM1
SCHEMBL12989451 0.85 CYP46A1 (0.35) CYP46A1HCRTR2
SCHEMBL12989854 0.85 CHRM1 (0.38) CYP46A1MAPK8MAPK9MAPK10CHEK1
SCHEMBL15420303 0.85 CYP46A1 (0.39) CYP46A1MAPK8MAPK9MAPK10HCRTR2
SCHEMBL12989851 0.85 CHRM1 (0.38) CYP46A1MAPK8MAPK9MAPK10CHEK1
SCHEMBL15420674 0.85 CHRM1 (0.38) CYP46A1MAPK8MAPK9MAPK10CHEK1
SCHEMBL15420166 0.84 CHRM1 (0.40) HCRTR2CHRM1KAT5
SCHEMBL21795664 0.83 CYP46A1 (0.37) CYP46A1HCRTR2MELKATR
SCHEMBL12989178 0.81 CHRM1 (0.40) CYP46A1CHRM1
SCHEMBL12989171 0.81 CHRM1 (0.40) CYP46A1CHRM1

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-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CYP46A1 1863/4885MAPK8 2475/4885MAPK9 2934/4885

“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.