SCHEMBL21333744

SCHEMBL21333744

NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC(c1ccccc1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.71
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 2/20 0.71
MAPT P10636 6/20 0.67
NPC1 O15118 5/20 0.67
FLT3 P36888 3/20 0.67
POLB P06746 1/20 0.66
PDE4B Q07343 2/20 0.62
PDE4D Q08499 2/20 0.62
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MGAM O43451 4/20 0.53
AMY1A P0DUB6 2/20 0.53
RORC P51449 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 1/20 0.52
RCE1 Q9Y256 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL21346848 0.89 PDE4B (0.68) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21347432 0.85 RAB9A (0.78) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21346969 0.83 MAPT (0.79) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21247126 0.82 RAB9A (0.65) RAB9AALDH1A1MAPTNPC1FLT3
SCHEMBL5457779 0.81 RAB9A (1.00) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL5458275 0.78 PDE4B (0.63) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21346852 0.78 PDE4B (0.56) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL2182372 0.77 TP53 (0.80) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21247240 0.76 TNF (0.60) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL21247256 0.76 RAB9A (0.60) RAB9AALDH1A1MAPTNPC1FLT3

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 4 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
EP-3762383-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) 2021-01-13 EP 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
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 RAB9A 355/4885ALDH1A1 2614/4885KDM4E 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.