SCHEMBL112923

SCHEMBL112923

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.47
F2 P00734 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL111332 0.93 SMN1; SMN2 (0.60) SMN1; SMN2MEN1ALDH1A1KMT2APOLB
SCHEMBL112630 0.93 NPC1 (0.48) SMN1; SMN2MEN1ALDH1A1PKMKMT2A
SCHEMBL115046 0.91 LMNA (0.58) SMN1; SMN2MEN1ALDH1A1KMT2APOLB
SCHEMBL114090 0.89 KMT2A (0.56) MEN1ALDH1A1KMT2APOLBGAA
SCHEMBL111865 0.86 ALDH1A1 (0.49) SMN1; SMN2MEN1ALDH1A1PKMKMT2A
SCHEMBL111789 0.85 KDM4E (0.51) SMN1; SMN2ALDH1A1POLBNPC1DRD2
SCHEMBL113246 0.84 GAA (0.52) SMN1; SMN2POLBGAANPC1LMNA
SCHEMBL112384 0.84 GAA (0.52) SMN1; SMN2POLBGAANPC1LMNA
SCHEMBL111258 0.84 LMNA (0.51) SMN1; SMN2ALDH1A1POLBGAANPC1
SCHEMBL111553 0.79 PKM (0.58) ALDH1A1PKMKMT2APOLBGAA

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 SMN1; SMN2 4561/4885MEN1 3298/4885ALDH1A1 1720/4885

“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.