SCHEMBL16607129

SCHEMBL16607129

COc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.75
KDM4E B2RXH2 6/20 0.71
RAB9A P51151 3/20 0.71
KMT2A Q03164 10/20 0.70
MEN1 O00255 9/20 0.70
NPC1 O15118 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 6/20 0.66
MAPK1 P28482 4/20 0.66
NPSR1 Q6W5P4 2/20 0.66
RXFP1 Q9HBX9 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
CSNK2A1 P68400 1/20 0.64
MAPT P10636 7/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 3/20 0.62
F2 P00734 1/20 0.62
TSHR P16473 1/20 0.62
HTT P42858 3/20 0.61

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
SCHEMBL16607135 0.92 ALDH1A1 (0.76) KDM4ERAB9AKMT2AMEN1NPC1
SCHEMBL16607185 0.88 ALDH1A1 (0.62) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL21376513 0.88 ADORA3 (0.59) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL16607198 0.87 MAPT (0.81) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL663839 0.87 KDM4E (0.66) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL21376829 0.87 KDM4E (0.58) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL28199635 0.87 RAB9A (0.72) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL16607137 0.86 ALDH1A1 (0.60) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL20462770 0.86 RAB9A (0.68) ADORA3KDM4ERAB9AKMT2AMEN1
SCHEMBL16607165 0.86 ABL1 (0.74) ADORA3KDM4ERAB9AKMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729695-B2 Amino, amido and heterocyclic compounds as modulators of RAGE activity and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-04 US disclosed
US-10265320-B2 Amino, amido and heterocyclic compounds as modulators of rage activity and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-04-23 US disclosed
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-09-15 US disclosed
US-9364472-B2 Amino, Amido and heterocyclic compounds as modulators of RAGE activity and uses thereof NEW YORK UNIVERSITY (US) 2016-06-14 US disclosed
US-9353078-B2 Amino, amido and heterocyclic compounds as modulators of rage activity and uses thereof NEW YORK UNIVERSITY (US) 2016-05-31 US disclosed
US-20160101096-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-04-14 US disclosed
WO-2015050984-A1 AMINO, AMIDO, AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2015-04-09 WO disclosed
US-20150094307-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2015-04-02 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 (5 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-20150094307-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 ADORA3 157/4885KDM4E 3803/4885RAB9A 1368/4885
US-10729695-B2 Amino, amido and heterocyclic compounds as modulators of RAGE activity and uses thereof AGER, IAPP, GPR119 ADORA3 157/4885KDM4E 3803/4885RAB9A 1368/4885
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 ADORA3 157/4885KDM4E 3803/4885RAB9A 1368/4885
US-20160101096-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 ADORA3 157/4885KDM4E 3803/4885RAB9A 1368/4885
US-10265320-B2 Amino, amido and heterocyclic compounds as modulators of rage activity and uses thereof AGER, IAPP, GPR119 ADORA3 157/4885KDM4E 3803/4885RAB9A 1368/4885

“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.