SCHEMBL15420674

SCHEMBL15420674

O=C(O)N[C@H]1CCOC[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.38
CYP46A1 Q9Y6A2 2/20 0.36
KAT5 Q92993 1/20 0.34
MELK Q14680 1/20 0.34
RIPK2 O43353 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
P2RX3 P56373 2/20 0.34
CHEK1 O14757 1/20 0.34
PTGES O14684 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL12989851 1.00 CHRM1 (0.38) CHRM1CYP46A1KAT5MELKRIPK2
SCHEMBL12989854 1.00 CHRM1 (0.38) CHRM1CYP46A1KAT5MELKRIPK2
SCHEMBL15420237 0.94 CHRM1 (0.36) CHRM1CYP46A1KAT5MELKRIPK2
SCHEMBL15420260 0.91 KAT5 (0.40) CHRM1KAT5MELKRIPK2
SCHEMBL15420309 0.87 CYP46A1 (0.38) CHRM1CYP46A1KAT5MELKMAPK8
SCHEMBL12989171 0.86 CHRM1 (0.40) CHRM1CYP46A1RIPK2PTGES
SCHEMBL12989178 0.86 CHRM1 (0.40) CHRM1CYP46A1RIPK2PTGES
SCHEMBL15420585 0.86 CHRM1 (0.40) CHRM1CYP46A1RIPK2PTGES
SCHEMBL12989999 0.86 SCN9A (0.35) CHRM1CYP46A1KAT5MELKP2RX3
SCHEMBL15420479 0.85 CYP46A1 (0.38) CHRM1CYP46A1KAT5MELKMAPK8

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
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 CHRM1 227/4885CYP46A1 1863/4885KAT5 2329/4885

“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.