SCHEMBL4286533

SCHEMBL4286533

CCN(C(N)=O)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
F2 P00734 1/20 0.44
HTT P42858 2/20 0.44
CTSD P07339 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL2754166 0.87 ESR1 (0.46) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL10941845 0.85 ESR1 (0.49) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL30994793 0.85 ESR1 (0.49) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11722894 0.83 MEN1 (0.48) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11250 0.83 ALDH1A1 (0.51) ESR1MEN1KMT2APOLBALDH1A1
SCHEMBL7746650 0.83 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6695226 0.81 F2 (0.46) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11531 0.81 LMNA (0.52) ESR1MEN1KMT2APOLBALDH1A1
SCHEMBL30994747 0.80 SMN1; SMN2 (0.47) ESR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL20264528 0.80 ALDH1A1 (0.47) ESR1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 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 (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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 ESR1 4654/4885MEN1 4191/4885KMT2A 2034/4885

“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.