SCHEMBL21451969

SCHEMBL21451969

COC(=O)NCCN1CCc2nc(C(C)(C)C)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.41
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAD52 P43351 1/20 0.37
RECQL P46063 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GRM5 P41594 2/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL22966522 0.88 GAA (0.41) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL21452354 0.85 HDAC6 (0.42) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL22966524 0.83 RAD52 (0.40) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL16285309 0.79 RAD52 (0.44) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL22966674 0.78 GRM5 (0.42) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL16285304 0.78 RAD52 (0.49) GAAALDH1A1KDM4EKMT2ANPC1
SCHEMBL22966549 0.77 PIK3CG (0.35) GAAALDH1A1KDM4EKMT2ANPC1
SCHEMBL22966676 0.77 ALDH1A1 (0.45) GAAALDH1A1KDM4EKMT2ANPC1
SCHEMBL16285302 0.77 RAD52 (0.43) GAAALDH1A1KDM4EKMT2ANPC1
SCHEMBL22966539 0.77 RAD52 (0.39) HDAC6HDAC3HDAC1GAAALDH1A1

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO 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 (1 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP HDAC6 390/4885HDAC3 1424/4885HDAC1 875/4885

“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.