SCHEMBL103152

SCHEMBL103152

NCc1cccc(Oc2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
TRPV6 Q9H1D0 1/20 0.52
CYP19A1 P11511 4/20 0.49
CYP2A6 P11509 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
HTT P42858 1/20 0.45
CHRNA7 P36544 1/20 0.44
CETP P11597 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
LOX P28300 1/20 0.43
MAPK1 P28482 1/20 0.43
GRM2 Q14416 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
SCHEMBL6201445 0.87 LMNA (0.64) LMNATDP1TRPV6CYP19A1CYP2A6
SCHEMBL103621 0.86 LMNA (0.61) LMNATDP1TRPV6CYP19A1CYP2A6
Hydrochloric Acid SCHEMBL2019926 0.85 LMNA (0.59) LMNATDP1TRPV6CYP19A1CYP2A6
SCHEMBL4949955 0.84 ST14 (0.58) ALDH1A1SMN1; SMN2LOXL2ST14LOX
SCHEMBL4938372 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL28824364 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL16301357 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL100121 0.83 LOXL2 (0.52) LMNATDP1TRPV6ALDH1A1SMN1; SMN2
SCHEMBL10549969 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL22910536 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20060199844-A1 Methylene urea derivatives MERCK PATENT GMBH (DE) 2006-09-07 US disclosed
EP-1562905-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004037789-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-05-06 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 (4 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 LMNA 3748/4885TDP1 2246/4885TRPV6 4815/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 LMNA 4812/4885TDP1 4034/4885TRPV6 3236/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 LMNA 3748/4885TDP1 2246/4885TRPV6 4815/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 LMNA 3748/4885TDP1 2246/4885TRPV6 4815/4885

“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.