SCHEMBL916394

SCHEMBL916394

CCOC(=O)c1cc2c(Oc3cc(F)cc(F)c3[N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
FLT3 P36888 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CACNA1F O60840 1/20 0.37

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
SCHEMBL915375 0.84 L3MBTL1 (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL915704 0.84 KDM4E (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL916437 0.82 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL914162 0.80 KDM4E (0.49) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL914827 0.80 KDM4E (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL913995 0.79 KDM4E (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL914726 0.79 KDM4E (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL5789445 0.78 RAB9A (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL914487 0.78 KDM4E (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL916148 0.78 KDM4E (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT

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 7 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
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 KDM4E 4266/4885ALDH1A1 1647/4885RAB9A 389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885ALDH1A1 1732/4885RAB9A 389/4885

“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.