SCHEMBL29839367

SCHEMBL29839367

COc1ccccc1-n1cc(C)n2ncc(C(=O)NC(C)(C)c3ccc(Cl)cc3)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36

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
SCHEMBL22729787 1.00 SCN9A (0.43) SCN9ASCN5AKDM4EMEN1KMT2A
SCHEMBL22729614 0.80 CNR1 (0.39) MEN1KMT2AEGLN1RAB9APOLB
SCHEMBL22729769 0.79 MAPK14 (0.44) KDM4EF2ALDH1A1GAATP53
SCHEMBL29839344 0.75 SCN9A (0.41) SCN9ASCN5AKDM4EKMT2AALDH1A1
SCHEMBL22729549 0.75 SCN9A (0.41) SCN9ASCN5AKDM4EKMT2AALDH1A1
SCHEMBL22729488 0.75 KDM4E (0.45) KDM4EMEN1KMT2AF2ALDH1A1
SCHEMBL29839354 0.74 LMNA (0.39) SCN9ASCN5AMEN1KMT2AALDH1A1
SCHEMBL22729489 0.74 LMNA (0.39) SCN9ASCN5AMEN1KMT2AALDH1A1
SCHEMBL22729645 0.74 CACNB4 (0.45) MEN1KMT2AALDH1A1GAATP53
SCHEMBL29839340 0.74 CACNB4 (0.45) MEN1KMT2AALDH1A1GAATP53

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 1948/4885KDM4E 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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