SCHEMBL20130636

SCHEMBL20130636

CNC(=O)c1cccc(CSC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.49
KDR P35968 1/20 0.47
KIF11 P52732 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PLK1 P53350 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADCY10 Q96PN6 1/20 0.43
BRD4 O60885 2/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 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
SCHEMBL21559883 0.87 SLC7A5 (0.56) SLC7A5HDAC8HDAC6MRGPRX4KDR
SCHEMBL11818 0.81 PLK1 (0.61) SLC7A5HDAC8HDAC6MRGPRX4SMN1; SMN2
SCHEMBL1569612 0.81 SLC7A5 (0.60) SLC7A5HDAC8HDAC6MRGPRX4KIF11
SCHEMBL46936 0.81 FOLH1 (0.59) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL1569614 0.81 SLC7A5 (0.60) SLC7A5HDAC8HDAC6MRGPRX4NPC1
SCHEMBL20342670 0.81 EPHX1 (0.51) MRGPRX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20114775 0.80 SMYD3 (0.64) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL6011693 0.80 LOXL2 (0.66) SLC7A5MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL16103849 0.79 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4KIF11
SCHEMBL20668077 0.79 PARP1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 US disclosed
US-20210206822-A1 Cyclic Peptide Tyrosine Tyrosine Compounds as Modulators of Neuropeptide Y Receptors JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 US disclosed
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-10 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 (4 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-20210206822-A1 Cyclic Peptide Tyrosine Tyrosine Compounds as Modulators of Neuropeptide Y Receptors NPY4R, NPY5R, NPY1R SLC7A5 1095/4885HDAC8 1840/4885HDAC6 1273/4885
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R SLC7A5 1095/4885HDAC8 1840/4885HDAC6 1273/4885
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R SLC7A5 2145/4885HDAC8 3731/4885HDAC6 1693/4885
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R SLC7A5 1095/4885HDAC8 1840/4885HDAC6 1273/4885

“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.