SCHEMBL2761945

SCHEMBL2761945

Cc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 5/20 0.49
HPGD P15428 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PIN1 Q13526 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
AHR P35869 1/20 0.49
CHRNA7 P36544 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49

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
SCHEMBL2001667 0.88 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL20495021 0.85 RHEB (0.50) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL30071297 0.85 RHEB (0.50) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL2761931 0.85 KDM4E (0.46) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL913901 0.85 FLT3 (0.50) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL2762114 0.82 KDM4E (0.49) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL2762314 0.82 HDAC11 (0.48) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL914175 0.81 ALPL (0.50) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL20257060 0.80 MAP2K4 (0.40) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL2762047 0.80 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1MEN1

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 14 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-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 KDM4E 4801/4885HSD17B10 3413/4885HPGD 3386/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885HSD17B10 2378/4885HPGD 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.