SCHEMBL22729489

SCHEMBL22729489

COc1ccccc1-n1ccc2c(c(C(=O)NC(C)(C)c3ccc(Cl)cc3)cn2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ B3GNT2 Q9NY97 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SSTR4 P31391 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29839354 1.00 LMNA (0.39) LMNAALDH1A1GAASCN9ADRD2
SCHEMBL22729407 0.80 NR4A2 (0.47) LMNAALDH1A1GAAPOLBBRD4
SCHEMBL22729720 0.78 ALDH1A1 (0.43) LMNAALDH1A1GAAKMT2APOLB
SCHEMBL22729780 0.75 CNR1 (0.37) LMNAALDH1A1MEN1KMT2AB3GNT2
SCHEMBL29839367 0.74 SCN9A (0.43) LMNAALDH1A1GAASCN9ADRD2
SCHEMBL22729787 0.74 SCN9A (0.43) LMNAALDH1A1GAASCN9ADRD2
SCHEMBL22729866 0.74 CNR2 (0.36) ALDH1A1B3GNT2SSTR4MAPK1SMN1; SMN2
SCHEMBL22729649 0.71 KMT2A (0.54) LMNAALDH1A1GAADRD2DRD3
SCHEMBL29839305 0.71 KMT2A (0.54) LMNAALDH1A1GAADRD2DRD3
SCHEMBL22729501 0.71 UGCG (0.49) LMNAPOLBUGCGBRPF1USP2

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 LMNA 695/4885ALDH1A1 2626/4885GAA 4/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC LMNA 680/4885ALDH1A1 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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