SCHEMBL29839344

SCHEMBL29839344

COc1ccccc1-n1cc(C)c2ncc(C(=O)NC(C)(C)c3ccc(Cl)cc3)n2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.41
▸ SCN5A Q14524 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ B3GNT2 Q9NY97 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ CTDSP1 Q9GZU7 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
SCHEMBL22729549 1.00 SCN9A (0.41) SCN9ASCN5AALDH1A1GAAROCK2
SCHEMBL22729767 0.82 CNR1 (0.39) LMNAKMT2AB3GNT2CNR1NR3C1
SCHEMBL22729533 0.81 MAPT (0.42) SCN9AGAALMNAKDM4E
SCHEMBL22729864 0.80 LMNA (0.41) ALDH1A1GAALMNAKMT2A
SCHEMBL29839402 0.75 BRD4 (0.44) ALDH1A1GAASMN1; SMN2NPC1LMNA
SCHEMBL22729543 0.75 BRD4 (0.44) ALDH1A1GAASMN1; SMN2NPC1LMNA
SCHEMBL22729787 0.75 SCN9A (0.43) SCN9ASCN5AALDH1A1GAAROCK2
SCHEMBL29839367 0.75 SCN9A (0.43) SCN9ASCN5AALDH1A1GAAROCK2
SCHEMBL22729840 0.74 CACNB4 (0.43) ALDH1A1LMNAKMT2ACNR1MAPK1
SCHEMBL29839399 0.74 CACNB4 (0.43) ALDH1A1LMNAKMT2ACNR1MAPK1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC SCN9A 3024/4885SCN5A 1948/4885ALDH1A1 2660/4885

“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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