SCHEMBL9154274

SCHEMBL9154274

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
CYP1A2 P05177 4/20 0.76
CYP3A4 P08684 4/20 0.76
CYP2C9 P11712 4/20 0.76
CYP2C19 P33261 4/20 0.76
LMNA P02545 3/20 0.76
MAPT P10636 3/20 0.76
CYP2D6 P10635 2/20 0.76
TSHR P16473 2/20 0.76
NFKB1 P19838 2/20 0.76
THPO P40225 2/20 0.76
CACNA1C Q13936 8/20 0.74
CACNA1F O60840 7/20 0.74
CACNA1D Q01668 7/20 0.74
CACNA1S Q13698 7/20 0.74
ADORA3 P0DMS8 2/20 0.71
MLNR O43193 1/20 0.71
NR1I2 O75469 1/20 0.71
CACNA1H O95180 1/20 0.71

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
SCHEMBL29684193 1.00 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7481538 0.96 CACNA1F (0.77) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9583587 0.94 HIF1A (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30876841 0.94 HIF1A (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Methane SCHEMBL29206052 0.93 HIF1A (0.75) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8523670 0.93 CACNA1F (0.83) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8298083 0.92 CACNA1C (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8298086 0.92 CACNA1C (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8301606 0.92 CACNA1C (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10747346 0.92 CACNA1F (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002343-A1 COMPOUNDS HAVING INHIBITORY EFFECT ON MITOCHONDRIAL HYPERFISSION KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-01-04 US disclosed
EP-4252843-A1 COMPOUND HAVING INHIBITORY ACTION AGAINST EXCESSIVE MITOCHONDRIAL DIVISIONS Kyushu University, National University Corporation (JP) 2023-10-04 EP disclosed
EP-4252843-A1 COMPOUND HAVING INHIBITORY ACTION AGAINST EXCESSIVE MITOCHONDRIAL DIVISIONS Kyushu University, National University Corporation (JP) 2023-10-04 EP disclosed
US-5403849-A Treatment of central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
US-4483985-A ALKALINE HYDROLYSIS OF ESTER GROUP BAYER AKTIENGESELLSCHAFT (DE) 1984-11-20 US disclosed
US-4285955-A CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 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-20240002343-A1 COMPOUNDS HAVING INHIBITORY EFFECT ON MITOCHONDRIAL HYPERFISSION CS, FH, CYC1 MEN1 3180/4885KMT2A 3608/4885CYP1A2 348/4885

“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.