SCHEMBL4131672

SCHEMBL4131672

CCOC(=O)c1ccc(-c2ccccc2)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CCR6 P51684 1/20 0.52
MDM2 Q00987 2/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 2/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CASP1 P29466 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
SCHEMBL4132138 0.94 MDM2 (0.60) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL4434197 0.85 MDM2 (0.67) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL9784691 0.84 KDM4E (0.55) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL29232726 0.84 CCR6 (0.56) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL8946445 0.84 MDM2 (0.68) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL3199778 0.84 NPC1 (0.58) KDM4EL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL31091350 0.83 MDM2 (0.60) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL11647201 0.82 KDM4E (0.51) KDM4EMAPK1TDP1L3MBTL1CCR6
SCHEMBL90998 0.82 LMNA (0.52) KDM4EMAPK1MDM2TSHRALDH1A1
SCHEMBL16706165 0.80 MAPT (0.54) KDM4EMAPK1TDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885MAPK1 302/4885TDP1 1032/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885MAPK1 302/4885TDP1 1032/4885

“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.