SCHEMBL22971976

SCHEMBL22971976

CCCCC1CCc2c(sc(NC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.61
PDE4D Q08499 4/20 0.61
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TNIK Q9UKE5 1/20 0.53
MAPT P10636 6/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.50
XBP1 P17861 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AIP O00170 1/20 0.50
SGTA O43765 1/20 0.50

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
SCHEMBL21347414 0.85 MAPT (0.60) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL22971847 0.82 MAPT (0.65) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL21347779 0.81 MAPT (0.54) PDE4BPDE4DKDM4EALDH1A1RAB9A
SCHEMBL21346964 0.77 TP53 (0.56) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL21347434 0.76 ALDH1A1 (0.62) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL8290603 0.75 ALDH1A1 (0.72) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL5454136 0.71 REV1 (0.81) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL21346818 0.69 FLT3 (0.70) PDE4BPDE4DKDM4EALDH1A1RAB9A
SCHEMBL21333819 0.69 ALDH1A1 (0.66) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL1066142 0.68 FLT3 (0.68) PDE4BPDE4DKDM4EALDH1A1HPGD

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 1 patent. 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

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 PDE4B 485/4885PDE4D 247/4885KDM4E 4085/4885

“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.