SCHEMBL16674308

SCHEMBL16674308

CC(C)CC(=O)NCCOCCNC(=O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.40
PSMB5 P28074 1/20 0.40
HSD17B10 Q99714 2/20 0.38
PTPN1 P18031 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 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
SCHEMBL18908667 0.98 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL23665082 0.98 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL18908729 0.98 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL22054928 0.98 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL16674425 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL21740830 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL22054930 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL18855041 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL16674452 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL23665081 0.91 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2022118186-A1 SENOTHERAPEUTIC COMPOUND BIONEXA S.R.L. (IT) 2022-06-09 WO disclosed
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 US disclosed
US-20200323814-A1 MEDICAL COMPOUND VERA SALUS RICERCA S.R.L. (IT) 2020-10-15 US disclosed
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
US-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 US disclosed
US-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 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 (8 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-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 KMT2A 3320/4885MEN1 1454/4885SMN1; SMN2 190/4885
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof BRD4, BRD2, BET1 KMT2A 406/4885MEN1 3402/4885SMN1; SMN2 3861/4885
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 KMT2A 3320/4885MEN1 1454/4885SMN1; SMN2 190/4885
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KMT2A 477/4885MEN1 3377/4885SMN1; SMN2 3865/4885
US-10010589-B2 TYMP, MTAP, TUBB6 KMT2A 3455/4885MEN1 426/4885SMN1; SMN2 599/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 KMT2A 3238/4885MEN1 25/4885SMN1; SMN2 1134/4885
US-20200323814-A1 MEDICAL COMPOUND MTNR1B, CBR1, MTNR1A KMT2A 3998/4885MEN1 591/4885SMN1; SMN2 3864/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB KMT2A 1097/4885MEN1 153/4885SMN1; SMN2 1457/4885

“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.