SCHEMBL23094199

SCHEMBL23094199

Cc1cc(OCC(=O)O/N=C(\N)Cc2cccs2)ccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 1.00
▸ L3MBTL1 Q9Y468 8/20 1.00
▸ MAPT P10636 5/20 1.00
▸ KDM4E B2RXH2 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ NPC1 O15118 6/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ RAB9A P51151 6/20 0.57
▸ ATM Q13315 1/20 0.57
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SENP8 Q96LD8 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
SCHEMBL23094247 0.85 TDP1 (1.00) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094168 0.84 TDP1 (1.00) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094253 0.82 L3MBTL1 (1.00) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094244 0.81 L3MBTL1 (0.69) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094243 0.81 L3MBTL1 (0.80) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094216 0.80 TDP1 (0.67) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094240 0.79 ALDH1A1 (1.00) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094264 0.78 MAPT (0.74) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL23094257 0.77 MAPT (0.63) TDP1L3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL23094248 0.75 MAPT (1.00) TDP1L3MBTL1MAPTKDM4EALDH1A1

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 2077/4885MAPT 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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