SCHEMBL21480409

SCHEMBL21480409

Nc1cccc(COc2ccc(F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.71
▸ PARP10 Q53GL7 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NR4A2 P43354 1/20 0.51
▸ APP P05067 1/20 0.50

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
SCHEMBL17554431 0.84 LMNA (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL631673 0.84 MAOB (0.79) MAOBGAAMAPTMAOARAB9A
SCHEMBL27521276 0.84 MAOB (0.77) MAOBPARP10MAOANR4A2
SCHEMBL31114416 0.84 MAOB (0.79) MAOBGAAMAPTMAOARAB9A
SCHEMBL1379497 0.83 MAOB (1.00) MAOBPARP10GAAMAPTMAOA
SCHEMBL21480309 0.83 MAOB (0.64) MAOBGAAMAPTMAOARAB9A
SCHEMBL810623 0.83 MAOB (0.72) MAOBMAPTMAOARAB9AL3MBTL1
SCHEMBL29638127 0.83 MAOB (1.00) MAOBPARP10GAAMAPTMAOA
SCHEMBL13745098 0.82 MRGPRX4 (0.62) MAOBGAAMAPTMAOARAB9A
SCHEMBL12533272 0.81 MAOB (0.65) MAOBGAAMAPTMAOARAB9A

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-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF RUI JIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2020-10-15 — — US disclosed
EP-3705481-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF Rui Jin Hospital Affiliated To Shanghai Jiao Tong University School of Medicine (CN) 2020-09-09 — — EP disclosed
WO-2019196111-A1 ANTI-TUMOR MULTIDRUG RESISTANCE OF HETEROARYL AMIDE COMPOUND, USE IN TREATMENT OF CANCERS AND PROTEIN-DRUG MOLECULAR COMPLEX 上海交通大学医学院附属瑞金医院 2019-10-17 — — WO 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-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF WEE1, ABCG2, WEE2 MAOB 1780/4885PARP10 1704/4885GAA 470/4885

“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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