SCHEMBL913995

SCHEMBL913995

CCOC(=O)c1cc2c(Oc3cc(C)ccc3[N+](=O)[O-])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
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
FBP1 P09467 2/20 0.39
CACNA1F O60840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CACNA1D Q01668 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
SCHEMBL5789445 0.91 RAB9A (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL916437 0.91 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL915375 0.85 L3MBTL1 (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL914494 0.83 KDM4E (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL397240 0.82 HRH4 (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL916210 0.81 KDM4E (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL914562 0.80 KDM4E (0.52) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL915047 0.79 KDM4E (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL916394 0.79 KDM4E (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL914953 0.77 KDM4E (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD

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 6 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

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.