SCHEMBL5486677

SCHEMBL5486677

C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)Sc1cc(C=C(c3ccccc3)c3ccccc3)ccc1N2c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CYP19A1 P11511 2/20 0.40
CYP11B2 P19099 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B3 P37058 1/20 0.33
MTOR P42345 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL5486664 0.90 CYP19A1 (0.41) TDP1CYP19A1CYP11B2SMN1; SMN2HTT
SCHEMBL5486669 0.90 CYP19A1 (0.41) TDP1CYP19A1CYP11B2SMN1; SMN2HTT
SCHEMBL5488902 0.82 TDP1 (0.42) TDP1CYP19A1CYP11B2SMN1; SMN2LMNA
SCHEMBL2495862 0.81 CYP19A1 (0.39) TDP1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL2501589 0.77 NOX1 (0.49) TDP1CYP19A1CYP11B2LMNAPTGS2
SCHEMBL8192034 0.76 PTGS2 (0.44) TDP1CYP19A1CYP11B2ALDH1A1CYP1A2
SCHEMBL5488897 0.76 CYP19A1 (0.41) TDP1CYP19A1CYP11B2SMN1; SMN2LMNA
SCHEMBL5488894 0.76 CYP19A1 (0.41) TDP1CYP19A1CYP11B2SMN1; SMN2LMNA
SCHEMBL8183837 0.74 PTGS2 (0.39) TDP1CYP19A1CYP11B2SMN1; SMN2HTT
SCHEMBL4872131 0.73 TDP1 (0.45) TDP1CYP19A1CYP11B2SMN1; SMN2LMNA

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
EP-1598361-B1 ORGANIC METAL COMPLEX, ELECTROLUMINESCENT MATERIAL USING THE COMPLEX AND ECTROLUMINESCENT ELEMENT USING THE COMPLEX SEMICONDUCTOR ENERGY LAB (JP) 2013-05-29 EP disclosed
US-7176307-B2 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-02-13 US disclosed
US-20060106211-A1 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2006-05-18 US disclosed
US-7041390-B2 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2006-05-09 US disclosed
EP-1598361-A1 ORGANIC METAL COMPLEX, ELECTROLUMINESCENT MATERIAL USING THE COMPLEX AND ECTROLUMINESCENT ELEMENT USING THE COMPLEX SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2005-11-23 EP disclosed
US-20050006625-A1 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2005-01-13 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-20050006625-A1 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex HSF1, ELP1, RPL19 TDP1 3827/4885CYP19A1 1006/4885CYP11B2 900/4885
US-20060106211-A1 Organometal complex, electroluminescence material using the complex, and electroluminescence element using the complex ELP1, HSF1, EMC1 TDP1 3277/4885CYP19A1 806/4885CYP11B2 775/4885

“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.