SCHEMBL22966522

SCHEMBL22966522

CC(C)(C)c1nc2c(s1)CN(CCNC(N)=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
HDAC6 Q9UBN7 8/20 0.40
HDAC3 O15379 6/20 0.39
HDAC1 Q13547 6/20 0.39
GRM5 P41594 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL22966524 0.89 RAD52 (0.40) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL21451969 0.88 HDAC6 (0.41) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL21451964 0.84 RAD52 (0.44) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL16285310 0.83 RAD52 (0.45) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL16285309 0.81 RAD52 (0.44) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL22966674 0.80 GRM5 (0.42) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL16285304 0.79 RAD52 (0.49) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL22966676 0.79 ALDH1A1 (0.45) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL16285302 0.79 RAD52 (0.43) GAAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL21452366 0.78 ALDH1A1 (0.43) GAAALDH1A1KMT2AKDM4ERAB9A

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 1 patent. 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

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 GAA 2115/4885ALDH1A1 658/4885KMT2A 4130/4885

“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.