SCHEMBL21851971

SCHEMBL21851971

CC(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ ALDH1A1 P00352 4/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ POLB P06746 1/20 0.65
▸ KDM4E B2RXH2 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ TP53 P04637 2/20 0.60
▸ HPGD P15428 2/20 0.59
▸ RAB9A P51151 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL14198603 0.84 KMT2A (0.79) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL11624141 0.76 KMT2A (0.83) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL25017242 0.75 RAB9A (0.68) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL14924020 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL5237448 0.74 HPGD (1.00) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL19002582 0.74 TP53 (0.68) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL7837431 0.74 HDAC8 (0.77) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL24069015 0.73 KMT2A (0.71) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL21851982 0.73 NPSR1 (0.80) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL11621200 0.73 KMT2A (0.76) KMT2AMEN1ALDH1A1L3MBTL1POLB

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 KMT2A 3189/4885MEN1 4275/4885ALDH1A1 3479/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 KMT2A 3189/4885MEN1 4275/4885ALDH1A1 3479/4885

“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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