SCHEMBL2222734

SCHEMBL2222734

NS(=O)(=O)c1ccc(N2CCC(CCN3CCCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
APOBEC3G Q9HC16 2/20 0.49
APOBEC3A P31941 1/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 3/20 0.49
MCL1 Q07820 1/20 0.49
WDR5 P61964 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
USP2 O75604 1/20 0.46
CXCR3 P49682 2/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL2222754 0.92 KMT2A (0.52) KMT2AMEN1APOBEC3GAPOBEC3AKDM4E
SCHEMBL2221639 0.90 KMT2A (0.60) KMT2AMEN1KDM4EHTTMCL1
SCHEMBL2221554 0.87 MEN1 (0.55) KMT2AMEN1HTTMCL1WDR5
SCHEMBL2222665 0.86 MEN1 (0.56) KMT2AMEN1HTTMCL1WDR5
SCHEMBL2221503 0.86 MEN1 (0.56) KMT2AMEN1APOBEC3GAPOBEC3AKDM4E
SCHEMBL12515553 0.86 MEN1 (0.52) KMT2AMEN1APOBEC3GAPOBEC3AKDM4E
SCHEMBL2221486 0.86 MEN1 (0.72) KMT2AMEN1ALDH1A1GAACXCR3
SCHEMBL2222538 0.85 MEN1 (0.55) KMT2AMEN1WDR5GAACXCR3
SCHEMBL2222596 0.85 MAPT (0.56) KMT2AMEN1APOBEC3GAPOBEC3AWDR5
SCHEMBL2221353 0.85 MEN1 (0.54) KMT2AMEN1WDR5GAACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 KMT2A 3936/4885MEN1 3640/4885APOBEC3G 3263/4885

“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.