SCHEMBL21798640

SCHEMBL21798640

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 9/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.36
SCN2B O60939 1/20 0.35
SCN1A P35498 1/20 0.35
SCN1B Q07699 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL21798633 0.89 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL21798661 0.88 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL21798647 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL21798638 0.85 KDM4E (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21798648 0.84 KMT2A (0.41) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL4105365 0.84 RAD52 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21798634 0.84 PDE10A (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21798683 0.81 AHR (0.41) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL21798641 0.80 KMT2A (0.38) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL21798659 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDTP53

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 MEN1 936/4885KMT2A 2396/4885ALDH1A1 2249/4885
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 MEN1 694/4885KMT2A 2477/4885ALDH1A1 2429/4885

“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.