SCHEMBL113902

SCHEMBL113902

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF18A Q8NI77 1/20 0.46
GPR55 Q9Y2T6 3/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 1/20 0.44
PRNP P04156 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL112584 0.91 CXCR3 (0.55) CXCR3KCNH2LMNASMN1; SMN2HTT
SCHEMBL111889 0.86 CXCR3 (0.67) CXCR3KCNH2LMNASMN1; SMN2POLB
SCHEMBL114642 0.85 CXCR3 (0.58) CXCR3KCNH2LMNASMN1; SMN2HTT
SCHEMBL112243 0.84 CXCR3 (0.57) CXCR3KCNH2LMNASMN1; SMN2POLB
SCHEMBL111560 0.83 CXCR3 (0.56) CXCR3KCNH2LMNASMN1; SMN2ALDH1A1
SCHEMBL113557 0.83 CXCR3 (0.55) CXCR3KCNH2LMNASMN1; SMN2HTT
SCHEMBL110135 0.83 LMNA (0.60) CXCR3KCNH2LMNASMN1; SMN2HTT
SCHEMBL3727961 0.82 CXCR3 (0.73) CXCR3KCNH2LMNASMN1; SMN2HTT
SCHEMBL110498 0.82 CXCR3 (0.59) CXCR3KCNH2LMNASMN1; SMN2ALDH1A1
SCHEMBL111833 0.82 CXCR3 (0.61) CXCR3KCNH2LMNASMN1; SMN2ALDH1A1

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 CXCR3 1/4885KCNH2 1384/4885LMNA 3677/4885

“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.