SCHEMBL21798672

SCHEMBL21798672

Cc1cccc2nc3cccc(C(=O)NC(C)CNCC(C)C)c3nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAD52 P43351 2/20 0.39
ATM Q13315 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMARCA2 P51531 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34

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
SCHEMBL21798649 0.85 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21798694 0.81 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21798673 0.81 MAPT (0.46) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21798665 0.79 HDAC1 (0.47) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21798679 0.79 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21798684 0.78 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7572020 0.76 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7570902 0.76 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7566738 0.75 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL626969 0.75 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2

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 MAPT 590/4885CYP1A2 684/4885CYP2C9 96/4885
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 MAPT 633/4885CYP1A2 688/4885CYP2C9 104/4885

“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.