SCHEMBL21668441

SCHEMBL21668441

C#CC(C)NC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2B6 P20813 1/20 0.51
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MALT1 Q9UDY8 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
SCHEMBL15690493 0.81 MALT1 (0.73) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL30587657 0.81 MALT1 (0.73) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL21668436 0.80 MAOA (0.64) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL15690489 0.75 MAOA (1.00) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL21814495 0.75 CYP1A2 (0.56) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL30587668 0.75 CYP1A2 (0.56) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL21646109 0.75 MAOA (0.57) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL4540326 0.73 MAPT (0.61) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL29633340 0.73 MAPT (0.61) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL9751902 0.72 RAB9A (0.51) MAOAMAOBCYP1A2CYP2C9CYP2C19

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-11771685-B2 Compounds for the treatment of neurological or mitochondrial diseases MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2023-10-03 US disclosed
US-20220125774-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL OR MITOCHONDRIAL DISEASES MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2022-04-28 US disclosed
CN-112770735-A Compounds for the treatment of neurological or mitochondrial diseases MUSC研究发展基金会 2021-05-07 CN disclosed
WO-2020028222-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL OR MITOCHONDRIAL DISEASES MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-02-06 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 (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-11771685-B2 Compounds for the treatment of neurological or mitochondrial diseases MT-ND2, MT-ND1, NLN MAOA 1603/4885MAOB 1073/4885CYP1A2 370/4885
US-20220125774-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL OR MITOCHONDRIAL DISEASES MT-ND2, MT-ND1, NLN MAOA 1603/4885MAOB 1073/4885CYP1A2 370/4885

“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.