SCHEMBL1505584

SCHEMBL1505584

CCOc1cc(Cl)cc(C(=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.40
HSD17B10 Q99714 1/20 0.40
NQO2 P16083 5/20 0.39
KDM4E B2RXH2 2/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
MAPK8 P45983 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
SCHEMBL13556488 0.84 ALDH1A1 (0.42) MRGPRX4HSD17B10NQO2KDM4EGRM5
SCHEMBL7236755 0.83 ALDH1A1 (0.55) NQO2KDM4EALDH1A1
SCHEMBL30667782 0.83 ALDH1A1 (0.55) NQO2KDM4EALDH1A1
SCHEMBL31392921 0.83 HSD17B10 (0.46) HSD17B10KDM4EGRM5ALDH1A1EDNRB
SCHEMBL22533455 0.83 HSD17B10 (0.46) HSD17B10KDM4EGRM5ALDH1A1EDNRB
SCHEMBL1145385 0.83 NQO2 (0.46) HSD17B10NQO2KDM4EGRM5ALDH1A1
SCHEMBL1505513 0.81 CNR2 (0.41) MRGPRX4
SCHEMBL1137177 0.81 NQO2 (0.47) MRGPRX4NQO2KDM4EALDH1A1
SCHEMBL1505514 0.78 NQO2 (0.39) MRGPRX4HSD17B10NQO2KDM4EALDH1A1
SCHEMBL2956768 0.78 MRGPRX4 (0.45) MRGPRX4NQO2KDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 MRGPRX4 2183/4885HSD17B10 2340/4885NQO2 166/4885

“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.