SCHEMBL21366027

SCHEMBL21366027

CCC(C)(C)n1nnc2c1-c1ccccc1N(C(=O)C(C)(C)C)Cc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
RIPK1 Q13546 5/20 0.34
HSD17B3 P37058 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL14296207 0.89 KMT2A (0.39) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL20991257 0.85 RIPK1 (0.41) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL16202457 0.85 KMT2A (0.39) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL18179935 0.84 KMT2A (0.40) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL25890671 0.82 KMT2A (0.37) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL21366311 0.82 KMT2A (0.39) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL21089788 0.82 SMN1; SMN2 (0.34) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL20215068 0.81 RIPK1 (0.38) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL22472682 0.81 KDM4E (0.47) SMN1; SMN2KDM4EHTTNPSR1HSD17B3
SCHEMBL19687876 0.81 KMT2A (0.34) KMT2AMEN1SMN1; SMN2KDM4EHTT

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-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-26 US disclosed
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 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-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 KMT2A 3813/4885MEN1 4056/4885SMN1; SMN2 991/4885
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 KMT2A 3813/4885MEN1 4056/4885SMN1; SMN2 991/4885

“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.