SCHEMBL914950

SCHEMBL914950

CCOC(=O)c1cc2c(Oc3ccc(F)c(F)c3)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.43
RHEB Q15382 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
POLB P06746 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
SCHEMBL914726 0.90 KDM4E (0.50) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL913702 0.88 KDM4E (0.48) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL914162 0.86 KDM4E (0.49) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL914562 0.86 KDM4E (0.52) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL915047 0.85 KDM4E (0.51) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL913978 0.85 KDM4E (0.55) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL13226592 0.84 BRD4 (0.50) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL915617 0.83 SRD5A2 (0.53) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL916148 0.83 KDM4E (0.44) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL5622391 0.81 KDM4E (0.55) KDM4EALDH1A1RAB9AHPGDNPC1

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.