SCHEMBL29660642

SCHEMBL29660642

COC(=O)/C=C(\C)Nc1ccc(F)cc1OCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
PYGL P06737 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
RAB9A P51151 1/20 0.37
UGCG Q16739 1/20 0.37
P2RY1 P47900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL29660886 0.86 KDM4E (0.48) MRGPRX1SMN1; SMN2NPSR1MEN1MAPT
SCHEMBL29660685 0.83 MAPT (0.50) SMN1; SMN2PYGLNPSR1MEN1MAPT
SCHEMBL29660728 0.76 MAPT (0.53) SMN1; SMN2PYGLMEN1MAPTHTT
SCHEMBL20626114 0.73 MRGPRX1 (0.49) MRGPRX1SMN1; SMN2PYGLNPSR1MEN1
SCHEMBL25247535 0.71 FFAR4 (0.56) MRGPRX1SMN1; SMN2NPSR1MEN1MAPT
SCHEMBL7345338 0.71 ALDH1A1 (0.49) MRGPRX1SMN1; SMN2NPSR1MEN1MAPT
SCHEMBL10137052 0.69 KMT2A (0.55) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL12264384 0.69 SMN1; SMN2 (0.62) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL2547131 0.69 SMN1; SMN2 (0.62) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL31563118 0.69 MAPT (0.45) SMN1; SMN2PYGLMEN1MAPTHTT

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-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-20220274982-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-01 US disclosed
EP-4005638-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 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 (2 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-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC MRGPRX1 1735/4885SMN1; SMN2 72/4885PYGL 2078/4885
US-20220274982-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC MRGPRX1 2038/4885SMN1; SMN2 71/4885PYGL 3240/4885

“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.