SCHEMBL21852247

SCHEMBL21852247

COc1ccc(N2CCN(C(=O)C(C(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 4/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 5/20 0.50
PKM P14618 1/20 0.48
AKR1C3 P42330 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 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
SCHEMBL21852723 0.89 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL21852720 0.78 L3MBTL1 (0.64) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL3455711 0.78 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EGAATSHR
SCHEMBL8325259 0.77 L3MBTL1 (0.68) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL15266902 0.76 L3MBTL1 (0.63) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL4582989 0.72 L3MBTL1 (0.53) ALDH1A1MAPK1MAPTGAAL3MBTL1
SCHEMBL27976453 0.71 AKR1C3 (0.85) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL632352 0.70 L3MBTL1 (0.73) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL4182066 0.70 L3MBTL1 (0.73) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL2767534 0.70 DRD2 (0.81) ALDH1A1MAPK1MAPTKDM4EGAA

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 3479/4885MAPK1 2728/4885MAPT 2647/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 ALDH1A1 3479/4885MAPK1 2728/4885MAPT 2647/4885

“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.