SCHEMBL23094241

SCHEMBL23094241

COc1ccccc1CC(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.69
▸ L3MBTL1 Q9Y468 8/20 0.65
▸ TDP1 Q9NUW8 7/20 0.65
▸ LMNA P02545 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ MAPK1 P28482 3/20 0.61
▸ MAPT P10636 2/20 0.57
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL23094270 0.88 TDP1 (0.74) TP53L3MBTL1TDP1LMNAMAPK1
SCHEMBL21467750 0.85 CYP3A4 (0.64) TP53L3MBTL1TDP1LMNAKDM4E
SCHEMBL23094230 0.84 L3MBTL1 (0.76) TP53L3MBTL1TDP1LMNACYP1A2
SCHEMBL23094291 0.82 TP53 (1.00) TP53L3MBTL1TDP1LMNACYP1A2
SCHEMBL23094195 0.80 TDP1 (0.72) TP53L3MBTL1TDP1LMNAKDM4E
SCHEMBL23094250 0.80 MAPT (0.81) L3MBTL1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL23094309 0.79 TDP1 (1.00) TP53L3MBTL1TDP1LMNACYP3A4
SCHEMBL23094189 0.78 KDM4E (1.00) L3MBTL1TDP1LMNAKDM4ECYP1A2
SCHEMBL23094197 0.78 TDP1 (0.86) TP53L3MBTL1TDP1LMNACYP3A4
SCHEMBL23094275 0.77 TDP1 (1.00) TP53L3MBTL1TDP1LMNAMAPK1

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 TP53 1242/4885L3MBTL1 2077/4885TDP1 4664/4885

“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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