SCHEMBL913702

SCHEMBL913702

CCOC(=O)c1cc2c(Oc3cccc(F)c3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
FLT3 P36888 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.43
BRAF P15056 1/20 0.42
HCRTR1 O43613 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL914162 0.92 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914726 0.91 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL915047 0.88 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL913978 0.88 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914950 0.88 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914562 0.85 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914827 0.84 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914487 0.84 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL914800 0.83 SRD5A2 (0.54) KDM4EALDH1A1RAB9AKMT2AHPGD
SCHEMBL13226592 0.83 BRD4 (0.50) KDM4ESMN1; SMN2ALDH1A1RAB9AKMT2A

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 4266/4885SMN1; SMN2 4303/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885SMN1; SMN2 4263/4885ALDH1A1 1732/4885

“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.