SCHEMBL21576740

SCHEMBL21576740

CCC(=O)CCc1ccnn1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IAPP P10997 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
P2RX7 Q99572 4/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL6133307 0.82 MAPK1 (0.50) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL21576234 0.82 KMT2A (0.49) KMT2AL3MBTL1IAPPKDM4CP2RX7
SCHEMBL24159039 0.81 KMT2A (0.47) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL6133245 0.79 LMNA (0.49) KMT2AL3MBTL1
SCHEMBL21576210 0.78 KMT2A (0.45) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL22572543 0.75 IAPP (0.35) IAPPMAPK1
SCHEMBL10245934 0.75
SCHEMBL21576127 0.73 KMT2A (0.44) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL17791880 0.71 KMT2A (0.49) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL256680 0.71

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-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885IAPP 2965/4885

“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.