SCHEMBL21346969

SCHEMBL21346969

CC(C)(C)C1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
KMT2A Q03164 4/20 0.79
PDE4B Q07343 3/20 0.79
PDE4D Q08499 2/20 0.79
ALDH1A1 P00352 8/20 0.74
RAB9A P51151 5/20 0.74
KDM4E B2RXH2 3/20 0.74
NPC1 O15118 4/20 0.67
FLT3 P36888 1/20 0.67
HPGD P15428 5/20 0.66
MEN1 O00255 2/20 0.66
POLB P06746 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ANO1 Q5XXA6 3/20 0.66
NPSR1 Q6W5P4 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
THRB P10828 1/20 0.57
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL21347427 0.88 MAPT (1.00) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21346802 0.88 MAPT (1.00) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21347432 0.87 RAB9A (0.78) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21346822 0.87 ALDH1A1 (0.61) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21347385 0.84 MAPT (0.72) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL4134803 0.84 TP53 (0.69) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21333744 0.83 RAB9A (0.71) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21347806 0.83 MAPT (0.72) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL5457779 0.81 RAB9A (1.00) MAPTKMT2AALDH1A1RAB9AKDM4E
SCHEMBL918990 0.80 MAPT (0.77) MAPTKMT2APDE4BPDE4DALDH1A1

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-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 US disclosed
WO-2019173437-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 WO 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-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF CHRM1, MTNR1A, CHRNA3 MAPT 658/4885KMT2A 3112/4885PDE4B 485/4885

“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.