SCHEMBL13336008

SCHEMBL13336008

CC(=O)CNC(=O)c1cnc2cc(C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 17/20 0.56
▸ MAOB P27338 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42

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
SCHEMBL8001356 0.86 HPGDS (0.70) HPGDSMAOB
SCHEMBL13113540 0.83 MGAM (0.56) HPGDS
SCHEMBL13925715 0.83 HPGDS (0.53) HPGDS
SCHEMBL10473057 0.76 MGAM (0.62) HPGDSMAOBCYP2A6
SCHEMBL17221411 0.76 MAOB (0.53) HPGDSMAOB
SCHEMBL12488090 0.75 MAOB (0.49) HPGDSMAOBCYP2A6
SCHEMBL30494336 0.75 HPGDS (0.66) HPGDSMAOBCYP2A6
SCHEMBL13574439 0.74 KMT2A (0.49) L3MBTL1
SCHEMBL8001650 0.73 MAOB (0.71) HPGDSMAOBL3MBTL1
SCHEMBL5436981 0.72 TDP1 (0.60) L3MBTL1

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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — 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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT HPGDS 1713/4885MAOB 579/4885L3MBTL1 3001/4885

“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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