SCHEMBL23094279

SCHEMBL23094279

Cc1cc(Br)ccc1OCC(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.63
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 6/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ HSP90AA1 P07900 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL23094195 0.86 TDP1 (0.72) TDP1L3MBTL1TP53MAPTNPC1
SCHEMBL23094278 0.83 TDP1 (0.72) TDP1L3MBTL1TP53MAPTLMNA
SCHEMBL23094282 0.82 TDP1 (0.67) TDP1L3MBTL1TP53MAPTNPC1
SCHEMBL23094270 0.81 TDP1 (0.74) TDP1L3MBTL1TP53MAPTLMNA
SCHEMBL23094272 0.80 TDP1 (0.77) TDP1L3MBTL1TP53MAPTNPC1
SCHEMBL23094225 0.79 L3MBTL1 (0.64) TDP1L3MBTL1MAPTNPC1CYP1A2
SCHEMBL23094275 0.78 TDP1 (1.00) TDP1L3MBTL1TP53MAPTLMNA
SCHEMBL23094256 0.77 TDP1 (0.79) TDP1L3MBTL1TP53MAPTLMNA
SCHEMBL23094249 0.77 TDP1 (0.75) TDP1L3MBTL1TP53MAPTLMNA
SCHEMBL23094273 0.74 TDP1 (0.69) TDP1L3MBTL1TP53MAPTNPC1

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 2077/4885TP53 1242/4885

“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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