SCHEMBL3351414

SCHEMBL3351414

O=C1Oc2ccccc2CC1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KLK5 Q9Y337 1/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL30069509 1.00 SIRT1 (0.39) SIRT1MAOAMAOBKLK5MAPT
SCHEMBL28990331 0.72 MAOB (0.43) SIRT1MAOAMAOBKLK5MEN1
SCHEMBL3345089 0.72 MAOB (0.43) SIRT1MAOAMAOBKLK5MEN1
SCHEMBL28988620 0.72 ACHE (0.48) SIRT1MAOAMAOBKLK5PPARG
SCHEMBL4467512 0.72 ANPEP (0.47) SIRT1MAOAMAOBKLK5PPARG
SCHEMBL2885515 0.72 MAOA (0.43) SIRT1MAOAMAOBKLK5MEN1
SCHEMBL31185920 0.72 ANPEP (0.47) SIRT1MAOAMAOBKLK5PPARG
SCHEMBL8927781 0.72 ACHE (0.48) SIRT1MAOAMAOBKLK5PPARG
SCHEMBL15147104 0.72 ACHE (0.48) SIRT1MAOAMAOBKLK5PPARG
SCHEMBL29629339 0.72 ACHE (0.48) SIRT1MAOAMAOBKLK5PPARG

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-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 US claimed
WO-2004103985-A2 DERIVATIVES OF FUSAROCHROMANONE AS THERAPEUTIC AGENTS UNIVERSITY OF SOUTH CAROLINA (US) 2004-12-02 WO claimed
CN-115322208-B 2-aminothiazole derivative and preparation method and medical application thereof 中国药科大学 2023-04-11 CN disclosed
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 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-20070203214-A1 Synthesis Of Chromanones MAP3K6, MAP3K8, MAP3K1 SIRT1 1087/4885MAOA 1648/4885MAOB 1582/4885

“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.