SCHEMBL3101690

SCHEMBL3101690

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CASP1 P29466 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CASP7 P55210 3/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 2/20 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
SCHEMBL163235 0.90 HSD17B10 (0.45) HSD17B10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3105176 0.85 RAB9A (0.43) HSD17B10SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL160142 0.84 ALDH1A1 (0.63) SMN1; SMN2KMT2ATSHRLMNAHTT
SCHEMBL113050 0.83 TRPV1 (0.44) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL3105119 0.83 TRPV1 (0.50) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL111886 0.82 ADRA1D (0.44) SMN1; SMN2HTTKDM4ETRPV1
SCHEMBL111857 0.80 TRPV1 (0.47) HSD17B10SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL162320 0.80 CXCR3 (0.51) SMN1; SMN2LMNAHTTALDH1A1TRPV1
SCHEMBL111833 0.79 CXCR3 (0.61) HSD17B10SMN1; SMN2KMT2AGAATSHR
SCHEMBL111730 0.78 GAA (0.57) HSD17B10SMN1; SMN2KMT2AGAALMNA

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
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
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 3423/4885SMN1; SMN2 4561/4885KMT2A 3794/4885

“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.