SCHEMBL21347414

SCHEMBL21347414

CC1CCc2c(sc(NC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PDE4B Q07343 2/20 0.60
PDE4D Q08499 1/20 0.60
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
ALDH1A1 P00352 4/20 0.56
THRB P10828 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.53
TNF P01375 1/20 0.52
NOD1 Q9Y239 1/20 0.52

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
SCHEMBL21347779 0.94 MAPT (0.54) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL21346964 0.91 TP53 (0.56) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL22971847 0.88 MAPT (0.65) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL22971976 0.85 PDE4B (0.61) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL21346818 0.84 FLT3 (0.70) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL2182372 0.81 TP53 (0.80) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL8289821 0.78 MAPT (0.76) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL21347432 0.77 RAB9A (0.78) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL3916246 0.75 MAPT (0.78) MAPTL3MBTL1PDE4BPDE4DTP53
SCHEMBL5455162 0.75 MAPT (0.72) MAPTL3MBTL1PDE4BPDE4DTP53

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 658/4885L3MBTL1 927/4885PDE4B 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.