SCHEMBL21798690

SCHEMBL21798690

Cc1cccc2nc3cccc(C(=O)NCC(C)OS(C)(=O)=O)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAD52 P43351 3/20 0.43
SMARCA2 P51531 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
P2RX7 Q99572 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL21798684 0.83 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798696 0.81 RAD52 (0.48) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798680 0.80 HDAC1 (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798694 0.80 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798679 0.79 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798658 0.76 KDM4E (0.36) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL626969 0.76 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL29406087 0.76 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL31399388 0.76 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798681 0.76 KDM4E (0.38) MAPTKMT2AMEN1MAPK1KDM4E

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.