SCHEMBL111553

SCHEMBL111553

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3C(=O)Nc3cccnc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 4/20 0.56
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
BRAF P15056 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 3/20 0.51
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL111081 0.91 ALDH1A1 (0.58) PKMTDP1RAB9AKMT2AALDH1A1
SCHEMBL114090 0.90 KMT2A (0.56) RAB9AKMT2APOLBLMNAMAPT
SCHEMBL110852 0.90 KMT2A (0.59) RAB9AKMT2APOLBLMNAMAPT
SCHEMBL115046 0.89 LMNA (0.58) RAB9AKMT2APOLBLMNAMAPT
SCHEMBL112248 0.89 RAB9A (0.46) PKMTDP1RAB9AKMT2APOLB
SCHEMBL113246 0.88 GAA (0.52) RAB9APOLBLMNAMAPTBRAF
SCHEMBL112384 0.87 GAA (0.52) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL111258 0.87 LMNA (0.51) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL111089 0.85 POLB (0.63) TDP1RAB9APOLBMAPTKDM4E
SCHEMBL13076824 0.83 NAMPT (0.52) TDP1KMT2AKDM4EALDH1A1TSHR

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 PKM 3273/4885TDP1 4226/4885RAB9A 1421/4885

“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.