SCHEMBL163235

SCHEMBL163235

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)CN2C(=O)Cc3ccccc3C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 4/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 2/20 0.39

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
SCHEMBL3101690 0.90 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1KDM4ECASP1
SCHEMBL3105176 0.85 RAB9A (0.43) HSD17B10ALDH1A1L3MBTL1KDM4ECASP1
SCHEMBL111886 0.79 ADRA1D (0.44) KDM4ESMN1; SMN2HTTTRPV1
SCHEMBL160142 0.79 ALDH1A1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL113050 0.78 TRPV1 (0.44) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL3105119 0.77 TRPV1 (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3113181 0.77 TRPV1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL111684 0.76 HDAC1 (0.41) ALDH1A1L3MBTL1KMT2ALMNAMAPT
SCHEMBL111857 0.75 TRPV1 (0.47) HSD17B10ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL162320 0.75 CXCR3 (0.51) ALDH1A1SMN1; SMN2LMNAHTTTRPV1

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 HSD17B10 3423/4885ALDH1A1 1720/4885L3MBTL1 3190/4885

“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.