SCHEMBL415610

SCHEMBL415610

Fc1ccc2c(ccn2-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
PLA2G4A P47712 1/20 0.51
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MGLL Q99685 2/20 0.44
BIRC5 O15392 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5663847 0.85 CDC7 (0.49) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL16356488 0.82 KCNH2 (0.47) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL14259391 0.82 KCNH2 (0.53) KCNH2MGLLKDM4EALDH1A1HPGD
SCHEMBL16356716 0.78 KCNH2 (0.52) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL6597949 0.78 MIF (0.45) KCNH2PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL3131128 0.78 PLA2G4A (0.51) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL15712437 0.78 SMN1; SMN2 (0.55) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL5737678 0.78 PLA2G4A (0.55) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL4557834 0.78 BIRC5 (0.62) KCNH2PLA2G4AHDAC3HDAC4HDAC1
SCHEMBL17067770 0.78 FGFR1 (0.51) KCNH2PLA2G4AHDAC3HDAC4HDAC1

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
CN-119118850-A Method for preparing amino phenethyl alcohol compound by reforming indole compound structure 中国科学院兰州化学物理研究所 2024-12-13 CN disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 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 (1 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR KCNH2 630/4885PLA2G4A 4460/4885HDAC3 162/4885

“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.