SCHEMBL23094156

SCHEMBL23094156

Cc1ccccc1OCC(=O)O/N=C(\N)Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 1.00
▸ L3MBTL1 Q9Y468 6/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ NPSR1 Q6W5P4 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MAPT P10636 4/20 0.66
▸ ALDH1A1 P00352 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ POLB P06746 1/20 0.60
▸ RAB9A P51151 2/20 0.55
▸ ATM Q13315 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL23094207 0.88 TDP1 (0.78) TDP1L3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL23094203 0.87 L3MBTL1 (1.00) TDP1L3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL23094195 0.84 TDP1 (0.72) TDP1L3MBTL1MAPK1MAPTALDH1A1
SCHEMBL23094273 0.81 TDP1 (0.69) TDP1L3MBTL1NPSR1SMN1; SMN2MAPT
SCHEMBL23094164 0.80 TDP1 (1.00) TDP1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL23094245 0.79 TDP1 (1.00) TDP1L3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL23094281 0.79 TDP1 (0.65) TDP1L3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL27374179 0.79 TDP1 (0.69) TDP1L3MBTL1NPSR1SMN1; SMN2MAPT
SCHEMBL23094254 0.78 TP53 (0.71) TDP1L3MBTL1NPSR1SMN1; SMN2MAPT
SCHEMBL23094240 0.78 ALDH1A1 (1.00) TDP1L3MBTL1MAPK1SMN1; SMN2MAPT

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 TDP1 4664/4885L3MBTL1 2077/4885MAPK1 3035/4885

“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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