SCHEMBL21798641

SCHEMBL21798641

Cc1cccc2cc3c(=O)n(-c4ccc(F)cc4)cc(C(=O)NCC(C)NCCC(C)C)c3nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 7/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
ATM Q13315 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 4/20 0.34
PDE4A P27815 1/20 0.34
KCNH2 Q12809 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL21798648 0.88 KMT2A (0.41) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798674 0.88 MEN1 (0.36) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798643 0.86 POLR1A (0.37) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798647 0.84 MEN1 (0.43) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798661 0.83 MEN1 (0.39) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798683 0.83 AHR (0.41) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL4105365 0.81 RAD52 (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL21798640 0.80 MEN1 (0.41) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798633 0.79 MEN1 (0.39) KMT2AMEN1TP53KDM4ELMNA
SCHEMBL21798659 0.79 MEN1 (0.39) KMT2AMEN1TP53KDM4ELMNA

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-11046687-B2 Polycyclic amide compound, preparation process and use thereof HEBEI GRANDIOS PHARMA CO., LTD. 2021-06-29 US disclosed
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof HEBEI GRANDIOS PHARMA CO., LTD. (CN) 2020-03-12 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-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, UACA KMT2A 2396/4885MEN1 936/4885TP53 48/4885
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UACA, H1-0 KMT2A 2477/4885MEN1 694/4885TP53 46/4885

“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.