SCHEMBL110852

SCHEMBL110852

O=C(NCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
RAB9A P51151 2/20 0.59
NAMPT P43490 5/20 0.52
TRPV1 Q8NER1 1/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CYP11B2 P19099 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL111553 0.90 PKM (0.58) KMT2ARAB9ALMNAMAPTKDM4E
SCHEMBL111081 0.88 ALDH1A1 (0.58) KMT2ARAB9AMEN1ALDH1A1HSD17B10
SCHEMBL112248 0.88 RAB9A (0.46) KMT2ARAB9ANAMPTTRPV1LMNA
SCHEMBL159522 0.87 POLB (0.65) KMT2ARAB9AHTTMEN1LMNA
SCHEMBL115046 0.86 LMNA (0.58) KMT2ARAB9AMEN1LMNAMAPT
SCHEMBL162993 0.85 TRPV1 (0.44) KMT2ARAB9ANAMPTTRPV1HTT
SCHEMBL13076824 0.85 NAMPT (0.52) KMT2ANAMPTTRPV1MEN1HPGD
SCHEMBL113246 0.85 GAA (0.52) RAB9ALMNAMAPTKDM4EGAA
SCHEMBL3104629 0.85 TRPV1 (0.53) KMT2ARAB9ANAMPTTRPV1HTT
SCHEMBL111258 0.84 LMNA (0.51) RAB9ALMNAMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 KMT2A 3794/4885RAB9A 1421/4885NAMPT 1460/4885

“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.