SCHEMBL23094253

SCHEMBL23094253

COc1ccc(OCC(=O)O/N=C(\N)Cc2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 1.00
▸ TDP1 Q9NUW8 8/20 0.79
▸ MAPT P10636 7/20 0.79
▸ ALDH1A1 P00352 3/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ RAB9A P51151 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ KMT2A Q03164 2/20 0.56
▸ GAA P10253 1/20 0.56

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
SCHEMBL23094243 0.89 L3MBTL1 (0.80) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094247 0.88 TDP1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094168 0.83 TDP1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094199 0.82 TDP1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094240 0.80 ALDH1A1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL10144077 0.78 L3MBTL1 (1.00) L3MBTL1TDP1MAPTALDH1A1RAB9A
SCHEMBL23094236 0.78 TDP1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094244 0.76 L3MBTL1 (0.69) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094277 0.75 TDP1 (1.00) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL23094251 0.73 ALDH1A1 (0.73) L3MBTL1TDP1MAPTALDH1A1SMN1; 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 L3MBTL1 2077/4885TDP1 4664/4885MAPT 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.

Send feedback