SCHEMBL23094205

SCHEMBL23094205

Cc1cccc(OCC(=O)O/N=C(\N)Cc2cccc3ccccc23)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 0.79
▸ MAPT P10636 8/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ NLRP3 Q96P20 1/20 0.66
▸ TDP1 Q9NUW8 2/20 0.64
▸ ALDH1A1 P00352 4/20 0.61
▸ HPGD P15428 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTT P42858 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ THRB P10828 1/20 0.50

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
SCHEMBL21467723 0.89 L3MBTL1 (1.00) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094235 0.88 L3MBTL1 (0.74) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21467841 0.85 L3MBTL1 (1.00) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094233 0.83 MAPT (0.79) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094171 0.82 MAPT (0.73) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21467721 0.82 L3MBTL1 (0.74) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094215 0.82 L3MBTL1 (0.78) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094249 0.80 TDP1 (0.75) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23094225 0.79 L3MBTL1 (0.64) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21467982 0.78 L3MBTL1 (0.79) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A

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 L3MBTL1 2077/4885MAPT 4344/4885SMN1; SMN2 4526/4885

“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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