SCHEMBL21851969

SCHEMBL21851969

O=C(O)C(Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.77
▸ GAA P10253 1/20 0.77
▸ KMT2A Q03164 5/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ POLB P06746 3/20 0.65
▸ TSHR P16473 1/20 0.63
▸ PKM P14618 1/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ CYP2D6 P10635 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL392680 0.87 ALDH1A1 (1.00) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL478614 0.87 ALDH1A1 (1.00) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL30216480 0.87 ALDH1A1 (1.00) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL4861809 0.87 ALDH1A1 (1.00) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL9194175 0.86 KMT2A (0.75) AADATALDH1A1GAAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7840775 0.86 ALDH1A1 (0.97) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL21914173 0.84 AADAT (0.72) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL2986755 0.82 ALDH1A1 (0.77) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL12643501 0.81 ALDH1A1 (0.76) AADATALDH1A1GAAKMT2AL3MBTL1
SCHEMBL9665050 0.79 ALDH1A1 (0.78) AADATALDH1A1GAAKMT2AL3MBTL1

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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 — — US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 — — 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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 AADAT 1736/4885ALDH1A1 3479/4885GAA 4097/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 AADAT 1736/4885ALDH1A1 3479/4885GAA 4097/4885

“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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