SCHEMBL21851950

SCHEMBL21851950

COc1cc(NC(=O)C(C(C)C)C(C)C)c(OC)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 8/20 0.56
NPSR1 Q6W5P4 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
STAT3 P40763 2/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.55
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL26816572 0.84 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL8930615 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL30668842 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL9298896 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL26816560 0.79 HTT (0.58) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL21851973 0.76 TP53 (0.57) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL24499459 0.74 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL27896148 0.74 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL1118436 0.74 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL29466463 0.74 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1KDM4EHPGD

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 SMN1; SMN2 3405/4885ALDH1A1 3479/4885NPSR1 4610/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 SMN1; SMN2 3405/4885ALDH1A1 3479/4885NPSR1 4610/4885

“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.