SCHEMBL22729407

SCHEMBL22729407

COC(=O)c1cn(C)c2ccn(-c3ccccc3OC)c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.47
▸ BRD4 O60885 2/20 0.46
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BRPF1 P55201 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KDM4E B2RXH2 3/20 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
SCHEMBL22729720 0.89 ALDH1A1 (0.43) BRD4MAPTLMNABRPF1GAA
SCHEMBL22729489 0.80 LMNA (0.39) BRD4LMNASMN1; SMN2BRPF1GAA
SCHEMBL29839354 0.80 LMNA (0.39) BRD4LMNASMN1; SMN2BRPF1GAA
SCHEMBL22729670 0.78 NR4A2 (0.53) NR4A2BRD4MAPTLMNASMN1; SMN2
SCHEMBL22729649 0.77 KMT2A (0.54) MAPTLMNASMN1; SMN2BRPF1GAA
SCHEMBL29839305 0.77 KMT2A (0.54) MAPTLMNASMN1; SMN2BRPF1GAA
SCHEMBL29839363 0.75 UGCG (0.49) MAPTLMNABRPF1TSHRHSD17B10
SCHEMBL22729501 0.75 UGCG (0.49) MAPTLMNABRPF1TSHRHSD17B10
SCHEMBL22729857 0.70 ALDH1A1 (0.45) MAPTLMNASMN1; SMN2BRPF1GAA
Methyl 2-Methoxybenzoate SCHEMBL196037 0.67 TSHR (0.69) MAPTLMNASMN1; SMN2GAATSHR

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 NR4A2 4236/4885BRD4 1170/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC NR4A2 4290/4885BRD4 1201/4885MAPT 364/4885

“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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