SCHEMBL2202198

SCHEMBL2202198

CCCC[Sn](CCCC)(CCCC)c1ccc(/C=C/c2ccc(N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
APP P05067 2/20 0.41
NQO2 P16083 2/20 0.39
MAPT P10636 1/20 0.35
AHR P35869 1/20 0.34
KDM4A O75164 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL2202201 1.00 CYP19A1 (0.42) CYP19A1MAOAMAOBAPPNQO2
SCHEMBL5787759 0.89 MAPT (0.41) CYP19A1MAPT
SCHEMBL3048888 0.83 MAPT (0.54) MAOBMAPT
SCHEMBL3048887 0.83 MAPT (0.54) MAOBMAPT
SCHEMBL1983658 0.79 TSHR (0.32) MAPT
SCHEMBL1356038 0.77 ALDH1A1 (0.42) MAPT
SCHEMBL2721191 0.77 ALDH1A1 (0.42)
SCHEMBL15648671 0.73 BDKRB2 (0.36) CYP19A1MAPT
SCHEMBL15648819 0.73 BDKRB2 (0.36) CYP19A1MAPT
SCHEMBL25486381 0.73 HTR2A (0.50) CYP19A1MAOAMAOBAPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US disclosed
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY 2018-11-29 US disclosed
EP-2910945-B1 Molecular probes for imaging of myelin UNIV CASE WESTERN RESERVE (US) 2018-07-18 EP disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
EP-2910945-A1 Molecular probes for imaging of myelin Case Western Reserve University (US) 2015-08-26 EP disclosed
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-20 US disclosed
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN WANG YANMING 2011-08-04 US disclosed
EP-2344877-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN Case Western Reserve University (US) 2011-07-20 EP disclosed
WO-2010039815-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2010-04-08 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-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION MAG, FABP7, PMP22 CYP19A1 3731/4885MAOA 4823/4885MAOB 3390/4885
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885
US-11382991-B2 Molecular probes for imaging of myelin MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885

“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.