SCHEMBL21467982

SCHEMBL21467982

Cc1ccc(CC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 0.79
▸ ALDH1A1 P00352 6/20 0.79
▸ MAPT P10636 5/20 0.79
▸ MEN1 O00255 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ LMNA P02545 2/20 0.69
▸ PKM P14618 1/20 0.69
▸ KDM4E B2RXH2 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HPGD P15428 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ NLRP3 Q96P20 1/20 0.63
▸ THRB P10828 1/20 0.55
▸ HTT P42858 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51

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
SCHEMBL23094269 0.84 ALDH1A1 (0.76) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094189 0.81 KDM4E (1.00) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094224 0.79 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094233 0.78 MAPT (0.79) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094205 0.78 L3MBTL1 (0.79) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094171 0.78 MAPT (0.73) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10388704 0.77 TDP1 (0.56) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094223 0.77 L3MBTL1 (1.00) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23094299 0.77 KDM4E (0.62) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21467723 0.77 L3MBTL1 (1.00) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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 2 patents. 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
US-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-10-17 — — 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 (2 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 2077/4885ALDH1A1 845/4885MAPT 4344/4885
US-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS GPX4, AIFM2, GPX1 L3MBTL1 2077/4885ALDH1A1 845/4885MAPT 4344/4885

“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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