SCHEMBL22729794

SCHEMBL22729794

COc1ccc(Cn2cc(C)n3ncc(C(=O)N4CCC(Oc5ccccc5)CC4)c3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SPR P35270 1/20 0.45
▸ KCNH2 Q12809 9/20 0.44
▸ MCHR1 Q99705 8/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL22729427 0.93 KCNH2 (0.44) MAPTSMN1; SMN2KCNH2MCHR1LMNA
SCHEMBL22729785 0.80 CHRM1 (0.51) MAPTMCHR1LMNAKDM4E
SCHEMBL22729461 0.79 KCNH2 (0.41) SPRKCNH2MCHR1TP53THRB
SCHEMBL22729594 0.79 SPR (0.38) SPRKCNH2MCHR1LMNATP53
SCHEMBL29839340 0.77 CACNB4 (0.45) MAPTSPRLMNATP53GAA
SCHEMBL22729645 0.77 CACNB4 (0.45) MAPTSPRLMNATP53GAA
SCHEMBL22729604 0.74 NTRK1 (0.43) SPRKCNH2
SCHEMBL22729848 0.73 PRKAA2 (0.44) SPRKDM4E
SCHEMBL22729466 0.72 NPBWR1 (0.43) MAPTMCHR1LMNATP53KDM4E
SCHEMBL22729599 0.71 MAPT (0.39) MAPTSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC MAPT 356/4885SMN1; SMN2 151/4885SPR 4788/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPT 364/4885SMN1; SMN2 155/4885SPR 4784/4885

“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.

Send feedback