SCHEMBL111940

SCHEMBL111940

COc1ccc(C(=O)N(C)CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.41
F10 P00742 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL111736 0.91 MAPT (0.44) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL111865 0.89 ALDH1A1 (0.49) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL112690 0.87 GPR6 (0.42) KMT2APOLBMEN1NPC1LMNA
SCHEMBL114090 0.85 KMT2A (0.56) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL111068 0.85 JAK2 (0.46) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL159855 0.82 TRPV1 (0.40) HTT
SCHEMBL110553 0.81 RAB9A (0.42) POLBNPC1RAB9ALMNAALDH1A1
SCHEMBL111877 0.80 TYK2 (0.39) KMT2APOLBL3MBTL1ALDH1A1HTT
SCHEMBL3105119 0.76 TRPV1 (0.50) KMT2APOLBMEN1ALDH1A1HTT
SCHEMBL112923 0.76 SMN1; SMN2 (0.56) KMT2APOLBMEN1NPC1LMNA

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 KMT2A 3794/4885POLB 3011/4885MEN1 3298/4885

“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.