SCHEMBL21852022

SCHEMBL21852022

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL21852240 0.78 ALDH1A1 (1.00) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL18880072 0.72 ALDH1A1 (0.73) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL103862 0.70 KMT2A (0.61) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL9886 0.70 ALDH1A1 (0.85) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL19425986 0.70 ALDH1A1 (0.85) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL13391074 0.69 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL9145715 0.69 ALDH1A1 (0.81) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL178429 0.69 MAPT (0.71) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL11659850 0.69 ALDH1A1 (0.81) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL14256476 0.69 CYP1A2 (0.50) ALDH1A1HTTLMNAKMT2AMEN1

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 3479/4885HTT 670/4885LMNA 3153/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 ALDH1A1 3479/4885HTT 670/4885LMNA 3153/4885

“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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