SCHEMBL4102012

SCHEMBL4102012

O=C(C(Cl)=NNc1ccc(Cl)cc1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
GAA P10253 5/20 0.55
ALDH1A1 P00352 4/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
RAB9A P51151 7/20 0.49
MAPT P10636 6/20 0.49
NPC1 O15118 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4102009 1.00 MEN1 (0.62) MEN1KMT2ALMNAHTTGAA
SCHEMBL4121141 0.83 LMNA (0.67) MEN1KMT2ALMNAHTTGAA
SCHEMBL4121136 0.83 LMNA (0.67) MEN1KMT2ALMNAHTTGAA
SCHEMBL2556741 0.82 KMT2A (0.58) MEN1KMT2ALMNAHTTGAA
SCHEMBL2556739 0.82 KMT2A (0.58) MEN1KMT2ALMNAHTTGAA
SCHEMBL29740222 0.79 MAPT (0.65) MEN1KMT2ALMNAHTTGAA
SCHEMBL2174834 0.74 CA2 (0.54) MEN1KMT2ALMNAHTTGAA
SCHEMBL2174838 0.74 CA2 (0.54) MEN1KMT2ALMNAHTTGAA
SCHEMBL4114859 0.73 NPC1 (0.57) MEN1KMT2ALMNAHTTGAA
SCHEMBL4114864 0.73 NPC1 (0.57) MEN1KMT2ALMNAHTTGAA

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MEN1 1287/4885KMT2A 2082/4885LMNA 2613/4885

“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.