SCHEMBL22729785

SCHEMBL22729785

COc1ccc(Cn2cc(C)n3ncc(C(=O)O)c3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.51
▸ PTPN1 P18031 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PDE1A P54750 4/20 0.43
▸ PDE1B Q01064 4/20 0.43
▸ PDE1C Q14123 4/20 0.43
▸ LMNA P02545 1/20 0.41
▸ NPBWR1 P48145 2/20 0.41
▸ ALKBH1 Q13686 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ POLB P06746 2/20 0.40

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
SCHEMBL22729466 0.84 NPBWR1 (0.43) KDM4EALDH1A1PDE1APDE1BPDE1C
SCHEMBL22729794 0.80 MAPT (0.45) KDM4ELMNAMAPTMCHR1
SCHEMBL22729427 0.78 KCNH2 (0.44) KDM4EALDH1A1LMNAMAPTMCHR1
SCHEMBL22729465 0.77 MAPT (0.51) KDM4EALDH1A1LMNAMAPT
SCHEMBL16052999 0.72 CHRM1 (0.57) CHRM1KDM4EALDH1A1LMNABRD4
SCHEMBL22729469 0.70 KDM4E (0.46) KDM4EALDH1A1MAPTPOLB
SCHEMBL14809708 0.70 NPBWR1 (0.51) CHRM1PTPN1KDM4EALDH1A1NPBWR1
SCHEMBL20746001 0.70 NPBWR1 (0.51) CHRM1PTPN1KDM4EALDH1A1LMNA
SCHEMBL16053796 0.70 CHRM1 (0.56) CHRM1KDM4EALDH1A1LMNABRD4
SCHEMBL29049972 0.69 PTPN1 (0.60) CHRM1PTPN1ALDH1A1LMNANPBWR1

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-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
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 CHRM1 2890/4885PTPN1 3094/4885KDM4E 1315/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CHRM1 2901/4885PTPN1 3057/4885KDM4E 1270/4885

“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.

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