SCHEMBL21852240

SCHEMBL21852240

CC(C)C(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ KMT2A Q03164 9/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ MAPT P10636 2/20 0.71
▸ KDM4E B2RXH2 2/20 0.71
▸ LMNA P02545 2/20 0.56
▸ HTT P42858 3/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL21852022 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL30423816 0.77 MEN1 (0.79) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11817094 0.77 MEN1 (0.79) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL25219866 0.76 LMNA (0.69) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL30423507 0.76 LMNA (0.69) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL25245057 0.76 MEN1 (0.65) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL30423422 0.76 MEN1 (0.65) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL25211518 0.75 KMT2A (0.70) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL25214387 0.75 LMNA (0.67) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL18127337 0.74 MEN1 (0.63) ALDH1A1KMT2AMEN1MAPTKDM4E

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

“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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