SCHEMBL22729769

SCHEMBL22729769

COc1ccccc1-n1cc(C)n2ncc(C(=O)O)c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ TP53 P04637 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ F2 P00734 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL22729488 0.87 KDM4E (0.45) ALDH1A1NPSR1RAB9ASMN1; SMN2KDM4E
SCHEMBL22729782 0.84 UGCG (0.43) CYP3A4CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL22729784 0.83 MEN1 (0.41) ALDH1A1GAATP53RAB9ASMN1; SMN2
SCHEMBL29839367 0.79 SCN9A (0.43) ALDH1A1GAATP53NPSR1CYP3A4
SCHEMBL22729787 0.79 SCN9A (0.43) ALDH1A1GAATP53NPSR1CYP3A4
SCHEMBL29839342 0.77 KMT2A (0.53) ALDH1A1GAATP53NPSR1CYP3A4
SCHEMBL22729798 0.77 KMT2A (0.53) ALDH1A1GAATP53NPSR1CYP3A4
SCHEMBL29839340 0.76 CACNB4 (0.45) ALDH1A1GAATP53NPSR1LMNA
SCHEMBL23139902 0.75 UGCG (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL22729663 0.73 KDM4E (0.45) ALDH1A1GAANPSR1RAB9ASMN1; SMN2

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 MAPK14 1506/4885ALDH1A1 2626/4885GAA 4/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPK14 1556/4885ALDH1A1 2660/4885GAA 4/4885

“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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