SCHEMBL23094281

SCHEMBL23094281

Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.65
▸ L3MBTL1 Q9Y468 6/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ MAPT P10636 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GAA P10253 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HSP90AA1 P07900 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL23094282 0.82 TDP1 (0.67) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL23094226 0.80 TDP1 (0.60) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL23094156 0.79 TDP1 (1.00) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL21467764 0.77 TDP1 (1.00) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL23094207 0.74 TDP1 (0.78) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL23094200 0.74 LMNA (0.74) TDP1L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL23094203 0.73 L3MBTL1 (1.00) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL23094195 0.73 TDP1 (0.72) TDP1L3MBTL1MAPK1MAPTRAB9A
SCHEMBL23094273 0.71 TDP1 (0.69) TDP1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL4302442 0.71 MAPT (0.61) TDP1L3MBTL1MAPK1MAPTSMN1; SMN2

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.

Send feedback