SCHEMBL23094206

SCHEMBL23094206

COc1ccc(C/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.79
▸ MAPT P10636 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ CYP2C19 P33261 2/20 0.79
▸ GAA P10253 2/20 0.79
▸ CYP1A2 P05177 1/20 0.79
▸ LMNA P02545 5/20 0.72
▸ PKM P14618 1/20 0.72
▸ TDP1 Q9NUW8 6/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ GLA P06280 1/20 0.59
▸ CRHBP P24387 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL23094200 0.89 LMNA (0.74) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL23094204 0.88 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL23094192 0.88 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL23094227 0.88 CYP3A4 (1.00) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL23094230 0.87 L3MBTL1 (0.76) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL23094211 0.85 ALDH1A1 (0.86) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL21467750 0.82 CYP3A4 (0.64) ALDH1A1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL23094254 0.81 TP53 (0.71) ALDH1A1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL23094228 0.81 ALDH1A1 (0.69) ALDH1A1MAPTCYP3A4CYP2C19GAA
SCHEMBL4302442 0.78 MAPT (0.61) ALDH1A1MAPTCYP3A4CYP2C19GAA

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-10947188-B2 Small molecule ferroptosis inducers THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-03-16 — — 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-10947188-B2 Small molecule ferroptosis inducers GPX4, AIFM2, GPX1 ALDH1A1 845/4885MAPT 4344/4885CYP3A4 2609/4885

“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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