SCHEMBL915375

SCHEMBL915375

CCOC(=O)c1cc2c(Oc3ccc(F)cc3[N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSPB1 P04792 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
FLT3 P36888 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL916437 0.90 KDM4E (0.46) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL913995 0.85 KDM4E (0.47) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL916394 0.84 KDM4E (0.39) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL5789445 0.84 RAB9A (0.41) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL914487 0.83 KDM4E (0.44) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL397240 0.81 HRH4 (0.56) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL914827 0.81 KDM4E (0.44) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL913702 0.81 KDM4E (0.48) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL914726 0.81 KDM4E (0.50) L3MBTL1MAPTHPGDKMT2AKDM4E
SCHEMBL914162 0.80 KDM4E (0.49) L3MBTL1MAPTHPGDKMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 L3MBTL1 3450/4885MAPT 4746/4885HPGD 716/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 L3MBTL1 3433/4885MAPT 4722/4885HPGD 770/4885

“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.